Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).

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2,791 – 2,805 of 271,159 results

2,791

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2-Amino-4-chloropyrimidine, 98%

CAS: 3993-78-0 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.547 MDL Number: MFCD00038021 InChI Key: DBGFGNCFYUNXLD-UHFFFAOYSA-N Synonym: 2-amino-4-chloropyrimidine,2-amine-4-chloropyrimidine,2-pyrimidinamine, 4-chloro,4-chloro-2-pyrimidinamine,4-chloro-2-aminopyrimidine,4-chloropyrimidine-2-amine,4-chloro-pyrimidin-2-ylamine,4-chloropyrimidine-2-ylamine,2-amino-6-chloropyrimidine,4-chloro-2-pyrimidineamine PubChem CID: 223332 IUPAC Name: 4-chloropyrimidin-2-amine SMILES: C1=CN=C(N=C1Cl)N

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Specifications

PubChem CID	223332
CAS	3993-78-0
Molecular Weight (g/mol)	129.547
MDL Number	MFCD00038021
SMILES	C1=CN=C(N=C1Cl)N
Synonym	2-amino-4-chloropyrimidine,2-amine-4-chloropyrimidine,2-pyrimidinamine, 4-chloro,4-chloro-2-pyrimidinamine,4-chloro-2-aminopyrimidine,4-chloropyrimidine-2-amine,4-chloro-pyrimidin-2-ylamine,4-chloropyrimidine-2-ylamine,2-amino-6-chloropyrimidine,4-chloro-2-pyrimidineamine
IUPAC Name	4-chloropyrimidin-2-amine
InChI Key	DBGFGNCFYUNXLD-UHFFFAOYSA-N
Molecular Formula	C4H4ClN3

2,792

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3-Fluoro-4-(4-methyl-1-piperazinyl)benzeneboronic acid pinacol ester, 95%

CAS: 1408088-34-5 Molecular Formula: C17H26BFN2O2 Molecular Weight (g/mol): 320.215 MDL Number: MFCD22988988 InChI Key: RFECQDXNBWGCRR-UHFFFAOYSA-N Synonym: 1-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl-4-methylpiperazine,3-fluoro-4-4-methyl-1-piperazinyl benzeneboronic acid pinacol ester PubChem CID: 70974710 IUPAC Name: 1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N3CCN(CC3)C)F

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Specifications

PubChem CID	70974710
CAS	1408088-34-5
Molecular Weight (g/mol)	320.215
MDL Number	MFCD22988988
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N3CCN(CC3)C)F
Synonym	1-2-fluoro-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl-4-methylpiperazine,3-fluoro-4-4-methyl-1-piperazinyl benzeneboronic acid pinacol ester
IUPAC Name	1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-methylpiperazine
InChI Key	RFECQDXNBWGCRR-UHFFFAOYSA-N
Molecular Formula	C17H26BFN2O2

2,793

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6-Amino-7-bromo-9-methyl-7-deazapurine, 97%, Thermo Scientific Chemicals

CAS: 1337532-51-0 Molecular Formula: C7H7BrN4 Molecular Weight (g/mol): 227.065 MDL Number: MFCD20486185 InChI Key: SCHJLAFNBDGWJN-UHFFFAOYSA-N Synonym: 5-bromo-7-methyl-7h-pyrrolo 2,3-d pyrimidin-4-amine,5-bromo-7-methylpyrrolo 2,3-d pyrimidin-4-amine,6-amino-7-bromo-9-methyl-7-deazapurine,5-bromo-7-methyl-7h-pyrrolo-2,3-d pyrimidin-4-amine,7h-pyrrolo 2,3-d pyrimidin-4-amine,5-bromo-7-methyl,7h-pyrrolo 2,3-d pyrimidin-4-amine, 5-bromo-7-methyl PubChem CID: 66560938 IUPAC Name: 5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine SMILES: CN1C=C(C2=C1N=CN=C2N)Br

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Specifications

PubChem CID	66560938
CAS	1337532-51-0
Molecular Weight (g/mol)	227.065
MDL Number	MFCD20486185
SMILES	CN1C=C(C2=C1N=CN=C2N)Br
Synonym	5-bromo-7-methyl-7h-pyrrolo 2,3-d pyrimidin-4-amine,5-bromo-7-methylpyrrolo 2,3-d pyrimidin-4-amine,6-amino-7-bromo-9-methyl-7-deazapurine,5-bromo-7-methyl-7h-pyrrolo-2,3-d pyrimidin-4-amine,7h-pyrrolo 2,3-d pyrimidin-4-amine,5-bromo-7-methyl,7h-pyrrolo 2,3-d pyrimidin-4-amine, 5-bromo-7-methyl
IUPAC Name	5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
InChI Key	SCHJLAFNBDGWJN-UHFFFAOYSA-N
Molecular Formula	C7H7BrN4

2,794

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3-Amino-2,4-difluorobenzeneboronic acid pinacol ester, 96%

CAS: 1315692-91-1 Molecular Formula: C12H16BF2NO2 Molecular Weight (g/mol): 255.072 MDL Number: MFCD22419270 InChI Key: MQGLBRAIKSVSIT-UHFFFAOYSA-N Synonym: 3-amino-2,4-difluorobenzeneboronic acid pinacol ester,2,6-difluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-amino-2,4-difluorobenzeneboronicacidpinacolester,2,6-difluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl aniline PubChem CID: 99738339 IUPAC Name: 2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)F)N)F

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Specifications

PubChem CID	99738339
CAS	1315692-91-1
Molecular Weight (g/mol)	255.072
MDL Number	MFCD22419270
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)F)N)F
Synonym	3-amino-2,4-difluorobenzeneboronic acid pinacol ester,2,6-difluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl aniline,3-amino-2,4-difluorobenzeneboronicacidpinacolester,2,6-difluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl aniline
IUPAC Name	2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI Key	MQGLBRAIKSVSIT-UHFFFAOYSA-N
Molecular Formula	C12H16BF2NO2

2,795

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5-Chloro-1,2,4-triazolo[4,3-a]pyridine, 97%

CAS: 27187-13-9 Molecular Formula: C6H4ClN3 Molecular Weight (g/mol): 153.57 MDL Number: MFCD11109431 InChI Key: FBQZXTMUYNKLRF-UHFFFAOYSA-N Synonym: 5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine PubChem CID: 324440 IUPAC Name: 5-chloro-[1,2,4]triazolo[4,3-a]pyridine SMILES: ClC1=CC=CC2=NN=CN12

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Specifications

PubChem CID	324440
CAS	27187-13-9
Molecular Weight (g/mol)	153.57
MDL Number	MFCD11109431
SMILES	ClC1=CC=CC2=NN=CN12
Synonym	5-chloro-1,2,4 triazolo 4,3-a pyridine,5-chloro-1,2,4-triazolo 4,3-a pyridine,1,2,4-triazolo 4,3-a pyridine, 5-chloro,5-chloro 1,2,4 triazolo 4,3-a pyridine
IUPAC Name	5-chloro-[1,2,4]triazolo[4,3-a]pyridine
InChI Key	FBQZXTMUYNKLRF-UHFFFAOYSA-N
Molecular Formula	C6H4ClN3

2,796

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2-Methylpyrimidine-5-carboxylic acid, 97%

CAS: 5194-32-1 Molecular Formula: C6H6N2O2 Molecular Weight (g/mol): 138.126 MDL Number: MFCD08235210 InChI Key: NMGIXZFBQPETOK-UHFFFAOYSA-N Synonym: 2-methyl-5-pyrimidinecarboxylic acid,2-methylpyrimidine-5-carboxylicacid,5-pyrimidinecarboxylic acid, 2-methyl,2-methyl-5-pyrimidinecarboxylicacid,pubchem13290,acmc-209kwu,ksc269i7t,2-methyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-methyl,2-methyl pyrimidine-5-carboxylic acid PubChem CID: 13670875 IUPAC Name: 2-methylpyrimidine-5-carboxylic acid SMILES: CC1=NC=C(C=N1)C(=O)O

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Specifications

PubChem CID	13670875
CAS	5194-32-1
Molecular Weight (g/mol)	138.126
MDL Number	MFCD08235210
SMILES	CC1=NC=C(C=N1)C(=O)O
Synonym	2-methyl-5-pyrimidinecarboxylic acid,2-methylpyrimidine-5-carboxylicacid,5-pyrimidinecarboxylic acid, 2-methyl,2-methyl-5-pyrimidinecarboxylicacid,pubchem13290,acmc-209kwu,ksc269i7t,2-methyl-pyrimidine-5-carboxylic acid,5-pyrimidinecarboxylicacid, 2-methyl,2-methyl pyrimidine-5-carboxylic acid
IUPAC Name	2-methylpyrimidine-5-carboxylic acid
InChI Key	NMGIXZFBQPETOK-UHFFFAOYSA-N
Molecular Formula	C6H6N2O2

2,797

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Methyl 3-cyanoindole-6-carboxylate, 97%

CAS: 1000576-51-1 Molecular Formula: C11H8N2O2 Molecular Weight (g/mol): 200.197 MDL Number: MFCD09878564 InChI Key: YBZVEPCMUWGFNW-UHFFFAOYSA-N Synonym: methyl 3-cyanoindole-6-carboxylate,3-cyano-1h-indole-6-carboxylic acid methyl ester,1h-indole-6-carboxylicacid, 3-cyano-, methyl ester,1h-indole-6-carboxylic acid, 3-cyano-, methyl ester PubChem CID: 37819073 IUPAC Name: methyl 3-cyano-1H-indole-6-carboxylate SMILES: COC(=O)C1=CC2=C(C=C1)C(=CN2)C#N

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Specifications

PubChem CID	37819073
CAS	1000576-51-1
Molecular Weight (g/mol)	200.197
MDL Number	MFCD09878564
SMILES	COC(=O)C1=CC2=C(C=C1)C(=CN2)C#N
Synonym	methyl 3-cyanoindole-6-carboxylate,3-cyano-1h-indole-6-carboxylic acid methyl ester,1h-indole-6-carboxylicacid, 3-cyano-, methyl ester,1h-indole-6-carboxylic acid, 3-cyano-, methyl ester
IUPAC Name	methyl 3-cyano-1H-indole-6-carboxylate
InChI Key	YBZVEPCMUWGFNW-UHFFFAOYSA-N
Molecular Formula	C11H8N2O2

2,798

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2-Methyl-N-(3-oxetanylidene)propane-2-sulfinamide, 95%, Thermo Scientific Chemicals

CAS: 1158098-73-7 Molecular Formula: C7H13NO2S Molecular Weight (g/mol): 175.246 MDL Number: MFCD14702522 InChI Key: VKUZMNXQGKBLHN-UHFFFAOYSA-N Synonym: 2-methyl-n-oxetan-3-ylidene propane-2-sulfinamide,2-methyl-n-3-oxetanylidene-2-propanesulfinamide,2-methyl-n-3-oxetanylidene propane-2-sulfinamide,3-tert-butylsulfinylmethylene oxetane,n-tert-butylsulfinyl oxetane-3-imine,2-methyl-n-oxetan-3-ylidene-propane-2-sulfinamide,2-methyl-n-oxetan-3-ylidene ;propane-2-sulfinamide,2-methyl-propane-2-sulfinic acid oxetan-3-ylideneamide,2-methylpropane-2-sulfinic acid oxetan-3-ylideneamide PubChem CID: 46839995 IUPAC Name: 2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide SMILES: CC(C)(C)S(=O)N=C1COC1

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Specifications

PubChem CID	46839995
CAS	1158098-73-7
Molecular Weight (g/mol)	175.246
MDL Number	MFCD14702522
SMILES	CC(C)(C)S(=O)N=C1COC1
Synonym	2-methyl-n-oxetan-3-ylidene propane-2-sulfinamide,2-methyl-n-3-oxetanylidene-2-propanesulfinamide,2-methyl-n-3-oxetanylidene propane-2-sulfinamide,3-tert-butylsulfinylmethylene oxetane,n-tert-butylsulfinyl oxetane-3-imine,2-methyl-n-oxetan-3-ylidene-propane-2-sulfinamide,2-methyl-n-oxetan-3-ylidene ;propane-2-sulfinamide,2-methyl-propane-2-sulfinic acid oxetan-3-ylideneamide,2-methylpropane-2-sulfinic acid oxetan-3-ylideneamide
IUPAC Name	2-methyl-N-(oxetan-3-ylidene)propane-2-sulfinamide
InChI Key	VKUZMNXQGKBLHN-UHFFFAOYSA-N
Molecular Formula	C7H13NO2S

2,799

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4,6-Dichloro-5-nitropyrimidine, 98%

CAS: 4316-93-2 Molecular Formula: C4HCl2N3O2 Molecular Weight (g/mol): 193.97 MDL Number: MFCD00006107 InChI Key: HCTISZQLTGAYOX-UHFFFAOYSA-N Synonym: pyrimidine, 4,6-dichloro-5-nitro,4,6-dichloro-5-nitro-pyrimidine,4,6-dichloro-5-nitro-pyridine,pubchem7078,acmc-1an8c,4-23-00-00899 beilstein handbook reference,ksc495i5h,4,6-dichloro-5-nitroprimidine,4,6 dichloro-5-nitropyrimidine,5-nitro 4,6-dichloropyrimidine PubChem CID: 20312 IUPAC Name: 4,6-dichloro-5-nitropyrimidine SMILES: [O-][N+](=O)C1=C(Cl)N=CN=C1Cl

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Specifications

PubChem CID	20312
CAS	4316-93-2
Molecular Weight (g/mol)	193.97
MDL Number	MFCD00006107
SMILES	[O-][N+](=O)C1=C(Cl)N=CN=C1Cl
Synonym	pyrimidine, 4,6-dichloro-5-nitro,4,6-dichloro-5-nitro-pyrimidine,4,6-dichloro-5-nitro-pyridine,pubchem7078,acmc-1an8c,4-23-00-00899 beilstein handbook reference,ksc495i5h,4,6-dichloro-5-nitroprimidine,4,6 dichloro-5-nitropyrimidine,5-nitro 4,6-dichloropyrimidine
IUPAC Name	4,6-dichloro-5-nitropyrimidine
InChI Key	HCTISZQLTGAYOX-UHFFFAOYSA-N
Molecular Formula	C4HCl2N3O2

2,800

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4-Chloro-2,6-dimethylpyrimidine, 97%, Thermo Scientific Chemicals

CAS: 4472-45-1 Molecular Formula: C6H7ClN2 Molecular Weight (g/mol): 142.586 MDL Number: MFCD00234197 InChI Key: GSXFOGXQLRLSKK-UHFFFAOYSA-N PubChem CID: 3154199 IUPAC Name: 4-chloro-2,6-dimethylpyrimidine SMILES: CC1=CC(=NC(=N1)C)Cl

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Specifications

PubChem CID	3154199
CAS	4472-45-1
Molecular Weight (g/mol)	142.586
MDL Number	MFCD00234197
SMILES	CC1=CC(=NC(=N1)C)Cl
IUPAC Name	4-chloro-2,6-dimethylpyrimidine
InChI Key	GSXFOGXQLRLSKK-UHFFFAOYSA-N
Molecular Formula	C6H7ClN2

2,801

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4,6-Dichloro-5-fluoropyrimidine, 98%

CAS: 213265-83-9 Molecular Formula: C4HCl2FN2 Molecular Weight (g/mol): 166.96 MDL Number: MFCD08056331 InChI Key: DGMIGAHDDPJOPN-UHFFFAOYSA-N Synonym: 4,6-dichloro-5-fluoro-pyrimidine,pyrimidine, 4,6-dichloro-5-fluoro,4,6-dichloro-5-fluoro-1,3-diazine,pubchem18606,acmc-209fj8,ksc494o9j,4,6-dichloro-5-fluoropyrimidine;,4,6-dichloro-5-fluoro-pyrimidine;,5-fluoro-4,6-dichloropyrimidine,4 3h-pyrimidinone,2-chloro-5-fluoro PubChem CID: 11286675 IUPAC Name: 4,6-dichloro-5-fluoropyrimidine SMILES: FC1=C(Cl)N=CN=C1Cl

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Specifications

PubChem CID	11286675
CAS	213265-83-9
Molecular Weight (g/mol)	166.96
MDL Number	MFCD08056331
SMILES	FC1=C(Cl)N=CN=C1Cl
Synonym	4,6-dichloro-5-fluoro-pyrimidine,pyrimidine, 4,6-dichloro-5-fluoro,4,6-dichloro-5-fluoro-1,3-diazine,pubchem18606,acmc-209fj8,ksc494o9j,4,6-dichloro-5-fluoropyrimidine;,4,6-dichloro-5-fluoro-pyrimidine;,5-fluoro-4,6-dichloropyrimidine,4 3h-pyrimidinone,2-chloro-5-fluoro
IUPAC Name	4,6-dichloro-5-fluoropyrimidine
InChI Key	DGMIGAHDDPJOPN-UHFFFAOYSA-N
Molecular Formula	C4HCl2FN2

2,802

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4-Nitrobenzeneboronic acid pinacol ester, 98%

CAS: 171364-83-3 Molecular Formula: C12H16BNO4 Molecular Weight (g/mol): 249.073 MDL Number: MFCD02179437 InChI Key: LUWACRUAJXZANC-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-4-nitrophenyl-1,3,2-dioxaborolane,4-nitrophenylboronic acid pinacol ester,4-nitrophenylboronic acid, pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nitrobenzene,4-nitrophenyl boronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-4-nitrophenyl,pubchem8088,pinacol 4-nitrophenyl boronate;,4-nitrophenylboronate pinacol ester;,para-nitrobenzeneboronic acid pinacol ester; PubChem CID: 2773555 IUPAC Name: 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

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Specifications

PubChem CID	2773555
CAS	171364-83-3
Molecular Weight (g/mol)	249.073
MDL Number	MFCD02179437
SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]
Synonym	4,4,5,5-tetramethyl-2-4-nitrophenyl-1,3,2-dioxaborolane,4-nitrophenylboronic acid pinacol ester,4-nitrophenylboronic acid, pinacol ester,4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl nitrobenzene,4-nitrophenyl boronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-4-nitrophenyl,pubchem8088,pinacol 4-nitrophenyl boronate;,4-nitrophenylboronate pinacol ester;,para-nitrobenzeneboronic acid pinacol ester;
IUPAC Name	4,4,5,5-tetramethyl-2-(4-nitrophenyl)-1,3,2-dioxaborolane
InChI Key	LUWACRUAJXZANC-UHFFFAOYSA-N
Molecular Formula	C12H16BNO4

2,803

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4-Amino-5-bromo-2-chloropyrimidine, 95%

CAS: 205672-25-9 Molecular Formula: C4H3BrClN3 Molecular Weight (g/mol): 208.44 MDL Number: MFCD07782040 InChI Key: QOWALNIZDHZTSM-UHFFFAOYSA-N Synonym: 4-amino-5-bromo-2-chloropyrimidine,4-pyrimidinamine, 5-bromo-2-chloro,5-bromo-2-chloro-4-pyrimidinamine,5-bromo-2-chloro-pyrimidin-4-ylamine,5-bromo-2-chloropyrimidine-4-ylamine,pubchem18570,acmc-209fbz,5-bromo-2-chloro-pyrimidin-4-amine,5-bromo-2-chloropyrimidin-4-ylamine PubChem CID: 2763293 IUPAC Name: 5-bromo-2-chloropyrimidin-4-amine SMILES: NC1=NC(Cl)=NC=C1Br

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Specifications

PubChem CID	2763293
CAS	205672-25-9
Molecular Weight (g/mol)	208.44
MDL Number	MFCD07782040
SMILES	NC1=NC(Cl)=NC=C1Br
Synonym	4-amino-5-bromo-2-chloropyrimidine,4-pyrimidinamine, 5-bromo-2-chloro,5-bromo-2-chloro-4-pyrimidinamine,5-bromo-2-chloro-pyrimidin-4-ylamine,5-bromo-2-chloropyrimidine-4-ylamine,pubchem18570,acmc-209fbz,5-bromo-2-chloro-pyrimidin-4-amine,5-bromo-2-chloropyrimidin-4-ylamine
IUPAC Name	5-bromo-2-chloropyrimidin-4-amine
InChI Key	QOWALNIZDHZTSM-UHFFFAOYSA-N
Molecular Formula	C4H3BrClN3

2,804

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4-Chloro-2-(4-morpholinyl)quinazoline, 97%

CAS: 39216-67-6 Molecular Formula: C12H12ClN3O Molecular Weight (g/mol): 249.70 MDL Number: MFCD07758764 InChI Key: UWAUCVLFWGAOGM-UHFFFAOYSA-N Synonym: 4-chloro-2-morpholinoquinazoline,4-chloro-2-morpholin-4-yl quinazoline,4-4-chloroquinazolin-2-yl morpholine,4-chloro-2-4-morpholinyl quinazoline PubChem CID: 12286589 IUPAC Name: 4-(4-chloroquinazolin-2-yl)morpholine SMILES: ClC1=C2C=CC=CC2=NC(=N1)N1CCOCC1

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Specifications

PubChem CID	12286589
CAS	39216-67-6
Molecular Weight (g/mol)	249.70
MDL Number	MFCD07758764
SMILES	ClC1=C2C=CC=CC2=NC(=N1)N1CCOCC1
Synonym	4-chloro-2-morpholinoquinazoline,4-chloro-2-morpholin-4-yl quinazoline,4-4-chloroquinazolin-2-yl morpholine,4-chloro-2-4-morpholinyl quinazoline
IUPAC Name	4-(4-chloroquinazolin-2-yl)morpholine
InChI Key	UWAUCVLFWGAOGM-UHFFFAOYSA-N
Molecular Formula	C12H12ClN3O

2,805

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4-Hydroxy-5-iodopyrimidine, 95%, Thermo Scientific Chemicals

CAS: 4349-07-9

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Specifications

CAS	4349-07-9

Organoheterocyclic compounds

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