Imidazopyrimidines

Organic heterocyclic compounds that contain an imidazole ring fused to a pyrimidine ring. Imidazole is five-membered ring with three carbon atoms and two nitrogen atoms; pyrimidine is a six-membered ring with four carbon atoms and two nitrogen atoms.

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76 – 90 of 497 results

Theophylline 98.0+%, TCI America™

CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

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PubChem CID	2153
CAS	58-55-9
Molecular Weight (g/mol)	180.167
ChEBI	CHEBI:28177
MDL Number	MFCD00079619
SMILES	CN1C2=C(C(=O)N(C1=O)C)NC=N2
Synonym	theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur
IUPAC Name	1,3-dimethyl-7H-purine-2,6-dione
InChI Key	ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Formula	C7H8N4O2

Caffeine 98.0+%, TCI America™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

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PubChem CID	2519
CAS	58-08-2
Molecular Weight (g/mol)	194.19
ChEBI	CHEBI:27732
MDL Number	MFCD00005758
SMILES	CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym	caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name	1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key	RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula	C8H10N4O2

(R)-9-(2-Hydroxypropyl)adenine 98.0+%, TCI America™

CAS: 14047-28-0 Molecular Formula: C8H11N5O Molecular Weight (g/mol): 193.21 MDL Number: MFCD07369451 InChI Key: MJZYTEBKXLVLMY-UHFFFAOYNA-N Synonym: (R)-6-Amino-9-(2-hydroxypropyl)purine PubChem CID: 445211 IUPAC Name: 1-(6-amino-9H-purin-9-yl)propan-2-ol SMILES: CC(O)CN1C=NC2=C(N)N=CN=C12

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PubChem CID	445211
CAS	14047-28-0
Molecular Weight (g/mol)	193.21
MDL Number	MFCD07369451
SMILES	CC(O)CN1C=NC2=C(N)N=CN=C12
Synonym	(R)-6-Amino-9-(2-hydroxypropyl)purine
IUPAC Name	1-(6-amino-9H-purin-9-yl)propan-2-ol
InChI Key	MJZYTEBKXLVLMY-UHFFFAOYNA-N
Molecular Formula	C8H11N5O

Adenine Hydrochloride Hemihydrate 98.0+%, TCI America™

CAS: 2922-28-3 Molecular Formula: C5H6ClN5 Molecular Weight (g/mol): 171.59 MDL Number: MFCD00038990 InChI Key: UQVDQSWZQXDUJB-UHFFFAOYSA-N Synonym: adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1 PubChem CID: 76219 IUPAC Name: 7H-purin-6-amine hydrochloride SMILES: Cl.NC1=C2NC=NC2=NC=N1

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PubChem CID	76219
CAS	2922-28-3
Molecular Weight (g/mol)	171.59
MDL Number	MFCD00038990
SMILES	Cl.NC1=C2NC=NC2=NC=N1
Synonym	adenine hydrochloride,7h-purin-6-amine hydrochloride,6-aminopurine hydrochloride,1h-purin-6-amine, monohydrochloride,adenine monohydrochloride,unii-364h11m7od,adenine hcl,1h-purin-6-amine, hydrochloride,9h-purin-6-amine, hydrochloride 1:?,9h-purin-6-amine, hydrochloride 1:1
IUPAC Name	7H-purin-6-amine hydrochloride
InChI Key	UQVDQSWZQXDUJB-UHFFFAOYSA-N
Molecular Formula	C5H6ClN5

Xanthosine Dihydrate 98.0+%, TCI America™

CAS: 146-80-5 Molecular Formula: C10H12N4O6 Molecular Weight (g/mol): 284.228 MDL Number: MFCD00005726 InChI Key: UBORTCNDUKBEOP-UUOKFMHZSA-N PubChem CID: 64959 ChEBI: CHEBI:18107 IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O

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PubChem CID	64959
CAS	146-80-5
Molecular Weight (g/mol)	284.228
ChEBI	CHEBI:18107
MDL Number	MFCD00005726
SMILES	C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
IUPAC Name	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
InChI Key	UBORTCNDUKBEOP-UUOKFMHZSA-N
Molecular Formula	C10H12N4O6

2-Fluoroadenine 98.0+%, TCI America™

CAS: 700-49-2 Molecular Formula: C5H4FN5 Molecular Weight (g/mol): 153.12 MDL Number: MFCD01632749 InChI Key: WKMPTBDYDNUJLF-UHFFFAOYSA-N Synonym: 2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro PubChem CID: 12790 ChEBI: CHEBI:72457 IUPAC Name: 2-fluoro-7H-purin-6-amine SMILES: NC1=C2NC=NC2=NC(F)=N1

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PubChem CID	12790
CAS	700-49-2
Molecular Weight (g/mol)	153.12
ChEBI	CHEBI:72457
MDL Number	MFCD01632749
SMILES	NC1=C2NC=NC2=NC(F)=N1
Synonym	2-fluoroadenine,2-fluoro-6-aminopurine,2-fluoro-1h-purin-6-amine,2-fad,2-fluoro-9h-purin-6-amine,6-amino-2-fluoropurine,2-fluoro-7 9 h-purin-6-ylamine,purine, 6-amino-2-fluoro,fluoroadenine,1h-purin-6-amine, 2-fluoro
IUPAC Name	2-fluoro-7H-purin-6-amine
InChI Key	WKMPTBDYDNUJLF-UHFFFAOYSA-N
Molecular Formula	C5H4FN5

Arprinocid 95.0+%, TCI America™

CAS: 55779-18-5 Molecular Formula: C12H9ClFN5 Molecular Weight (g/mol): 277.69 MDL Number: MFCD00867210 InChI Key: NAPNOSFRRMHNBJ-UHFFFAOYSA-N Synonym: 9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox PubChem CID: 41574 IUPAC Name: 9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine SMILES: NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1

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PubChem CID	41574
CAS	55779-18-5
Molecular Weight (g/mol)	277.69
MDL Number	MFCD00867210
SMILES	NC1=C2N=CN(CC3=C(F)C=CC=C3Cl)C2=NC=N1
Synonym	9-(2-Chloro-6-fluorobenzyl)-9H-purin-6-amine, Arpocox
IUPAC Name	9-[(2-chloro-6-fluorophenyl)methyl]-9H-purin-6-amine
InChI Key	NAPNOSFRRMHNBJ-UHFFFAOYSA-N
Molecular Formula	C12H9ClFN5

9-(2-Hydroxyethyl)adenine 98.0+%, TCI America™

CAS: 707-99-3 Molecular Formula: C7H9N5O Molecular Weight (g/mol): 179.183 MDL Number: MFCD04220770 InChI Key: VAQOTZQDXZDBJK-UHFFFAOYSA-N Synonym: 6-Amino-9-(2-hydroxyethyl)purine PubChem CID: 242652 IUPAC Name: 2-(6-aminopurin-9-yl)ethanol SMILES: C1=NC2=C(C(=N1)N)N=CN2CCO

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PubChem CID	242652
CAS	707-99-3
Molecular Weight (g/mol)	179.183
MDL Number	MFCD04220770
SMILES	C1=NC2=C(C(=N1)N)N=CN2CCO
Synonym	6-Amino-9-(2-hydroxyethyl)purine
IUPAC Name	2-(6-aminopurin-9-yl)ethanol
InChI Key	VAQOTZQDXZDBJK-UHFFFAOYSA-N
Molecular Formula	C7H9N5O

Isoguanine 98.0+%, TCI America™

CAS: 3373-53-3 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00142931 InChI Key: DRAVOWXCEBXPTN-UHFFFAOYSA-N Synonym: isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol PubChem CID: 76900 ChEBI: CHEBI:62462 IUPAC Name: 6-amino-2,7-dihydro-1H-purin-2-one SMILES: NC1=C2NC=NC2=NC(=O)N1

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PubChem CID	76900
CAS	3373-53-3
Molecular Weight (g/mol)	151.13
ChEBI	CHEBI:62462
MDL Number	MFCD00142931
SMILES	NC1=C2NC=NC2=NC(=O)N1
Synonym	isoguanine,2-hydroxyadenine,2-hydroxy-6-aminopurine,6-amino-3,7-dihydro-2h-purin-2-one,6-amino-2-hydroxypurine,6-amino-7h-purin-2-ol,2-oxoadenine,6-amino-1,3-dihydro-2h-purin-2-one,2-oxyadenine,6-amino-9h-purin-2-ol
IUPAC Name	6-amino-2,7-dihydro-1H-purin-2-one
InChI Key	DRAVOWXCEBXPTN-UHFFFAOYSA-N
Molecular Formula	C5H5N5O

2-Thioxanthine 80.0+%, TCI America™

CAS: 2487-40-3 Molecular Formula: C5H4N4OS Molecular Weight (g/mol): 168.174 MDL Number: MFCD00031505 InChI Key: XNHFAGRBSMMFKL-UHFFFAOYSA-N Synonym: 2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo PubChem CID: 1268185 IUPAC Name: 2-sulfanylidene-3,7-dihydropurin-6-one SMILES: C1=NC2=C(N1)C(=O)NC(=S)N2

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PubChem CID	1268185
CAS	2487-40-3
Molecular Weight (g/mol)	168.174
MDL Number	MFCD00031505
SMILES	C1=NC2=C(N1)C(=O)NC(=S)N2
Synonym	2-thioxanthine,6-hydroxy-2-mercaptopurine,2-mercapto-9h-purin-6-ol,2-thioxanthene,2-mercapto-6-hydroxypurine,2-thio-6-oxypurine,6-hydroxypurine-2-thiol,2-thioxo-2,3-dihydro-1h-purin-6 7h-one,xanthine, 2-thio,6h-purin-6-one, 1,2,3,7-tetrahydro-2-thioxo
IUPAC Name	2-sulfanylidene-3,7-dihydropurin-6-one
InChI Key	XNHFAGRBSMMFKL-UHFFFAOYSA-N
Molecular Formula	C5H4N4OS

Tenofovir Hydrate 98.0+%, TCI America™

CAS: 147127-20-6 Molecular Formula: C9H14N5O4P Molecular Weight (g/mol): 287.216 MDL Number: MFCD00943794 InChI Key: SGOIRFVFHAKUTI-ZCFIWIBFSA-N Synonym: (R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid PubChem CID: 464205 ChEBI: CHEBI:63625 IUPAC Name: [(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid SMILES: CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

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PubChem CID	464205
CAS	147127-20-6
Molecular Weight (g/mol)	287.216
ChEBI	CHEBI:63625
MDL Number	MFCD00943794
SMILES	CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O
Synonym	(R)-[[2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]phosphonic Acid
IUPAC Name	[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethylphosphonic acid
InChI Key	SGOIRFVFHAKUTI-ZCFIWIBFSA-N
Molecular Formula	C9H14N5O4P

3-Methylxanthine 98.0+%, TCI America™

CAS: 1076-22-8 Molecular Formula: C6H6N4O2 Molecular Weight (g/mol): 166.14 MDL Number: MFCD00005580 InChI Key: GMSNIKWWOQHZGF-UHFFFAOYSA-N Synonym: 3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817 PubChem CID: 70639 ChEBI: CHEBI:62207 IUPAC Name: 3-methyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)NC1=O)NC=N2

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PubChem CID	70639
CAS	1076-22-8
Molecular Weight (g/mol)	166.14
ChEBI	CHEBI:62207
MDL Number	MFCD00005580
SMILES	CN1C2=C(C(=O)NC1=O)NC=N2
Synonym	3-methylxanthine,3-methyl-1h-purine-2,6 3h,7h-dione,2,6-dihydroxy-3-methylpurine,xanthine, 3-methyl,3 mx,3-methyl xanthine,1h-purine-2,6-dione, 3,7-dihydro-3-methyl,unii-ws6x982oec,3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione,ccris 5817
IUPAC Name	3-methyl-7H-purine-2,6-dione
InChI Key	GMSNIKWWOQHZGF-UHFFFAOYSA-N
Molecular Formula	C6H6N4O2

6-Bromoimidazo[1,2-a]pyrimidine 98.0+%, TCI America™

CAS: 865156-68-9 Molecular Formula: C6H4BrN3 Molecular Weight (g/mol): 198.023 MDL Number: MFCD09261434 InChI Key: BQMWMOQCMFLRQQ-UHFFFAOYSA-N Synonym: 6-bromoimidazo 1,2-a pyrimidine,6-bromo-imidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine, 6-bromo,6-bromo-4-hydroimidazo 1,2-a pyrimidine,pubchem20931,acmc-209qa4,6-bromo-imidazo 1,2-a pyr...,6-bromanylimidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine,6-bromo PubChem CID: 26967622 IUPAC Name: 6-bromoimidazo[1,2-a]pyrimidine SMILES: C1=CN2C=C(C=NC2=N1)Br

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PubChem CID	26967622
CAS	865156-68-9
Molecular Weight (g/mol)	198.023
MDL Number	MFCD09261434
SMILES	C1=CN2C=C(C=NC2=N1)Br
Synonym	6-bromoimidazo 1,2-a pyrimidine,6-bromo-imidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine, 6-bromo,6-bromo-4-hydroimidazo 1,2-a pyrimidine,pubchem20931,acmc-209qa4,6-bromo-imidazo 1,2-a pyr...,6-bromanylimidazo 1,2-a pyrimidine,imidazo 1,2-a pyrimidine,6-bromo
IUPAC Name	6-bromoimidazo[1,2-a]pyrimidine
InChI Key	BQMWMOQCMFLRQQ-UHFFFAOYSA-N
Molecular Formula	C6H4BrN3

Pamabrom 98.0+%, TCI America™

CAS: 606-04-2 Molecular Formula: C11H18BrN5O3 Molecular Weight (g/mol): 348.201 MDL Number: MFCD00867328 InChI Key: ATOTUUBRFJHZQG-UHFFFAOYSA-N Synonym: 8-Bromotheophylline 2-Amino-2-methyl-1-propanol PubChem CID: 11806 IUPAC Name: 2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione SMILES: CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br

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PubChem CID	11806
CAS	606-04-2
Molecular Weight (g/mol)	348.201
MDL Number	MFCD00867328
SMILES	CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br
Synonym	8-Bromotheophylline 2-Amino-2-methyl-1-propanol
IUPAC Name	2-amino-2-methylpropan-1-ol;8-bromo-1,3-dimethyl-7H-purine-2,6-dione
InChI Key	ATOTUUBRFJHZQG-UHFFFAOYSA-N
Molecular Formula	C11H18BrN5O3

2'-O-Methyladenosine 98.0+%, TCI America™

CAS: 2140-79-6 Molecular Formula: C11H15N5O4 Molecular Weight (g/mol): 281.27 MDL Number: MFCD00056002 InChI Key: FPUGCISOLXNPPC-IOSLPCCCSA-N Synonym: 2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b PubChem CID: 102213 ChEBI: CHEBI:69426 IUPAC Name: (2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol SMILES: CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12

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Specifications

PubChem CID	102213
CAS	2140-79-6
Molecular Weight (g/mol)	281.27
ChEBI	CHEBI:69426
MDL Number	MFCD00056002
SMILES	CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C12
Synonym	2'-o-methyladenosine,adenosine, 2'-o-methyl,2'-o-methyl adenosine,2r,3r,4r,5r-5-6-amino-9h-purin-9-yl-2-hydroxymethyl-4-methoxytetrahydrofuran-3-ol,unii-02yx82ihz5,chembl73237,2'-o-methyl-adenosine,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxyoxolan-3-ol,2r,3r,4r,5r-5-6-aminopurin-9-yl-2-hydroxymethyl-4-methoxy-tetrahydrofuran-3-ol,cordysinin b
IUPAC Name	(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
InChI Key	FPUGCISOLXNPPC-IOSLPCCCSA-N
Molecular Formula	C11H15N5O4

Imidazopyrimidines

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