Pyrimidines And Derivatives

Aromatic organic compounds that consist of an aromatic six-membered ring containing two non-adjacent nitrogen atoms and four carbon atoms; includes compounds derived from pyrimidines.

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Barbituric acid, 99%

CAS: 67-52-7 Molecular Formula: C4H4N2O3 Molecular Weight (g/mol): 128.09 MDL Number: MFCD00006666 InChI Key: HNYOPLTXPVRDBG-UHFFFAOYSA-N Synonym: barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff PubChem CID: 6211 ChEBI: CHEBI:16294 IUPAC Name: 1,3-diazinane-2,4,6-trione SMILES: O=C1CC(=O)NC(=O)N1

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PubChem CID	6211
CAS	67-52-7
Molecular Weight (g/mol)	128.09
ChEBI	CHEBI:16294
MDL Number	MFCD00006666
SMILES	O=C1CC(=O)NC(=O)N1
Synonym	barbituric acid,malonylurea,2,4,6 1h,3h,5h-pyrimidinetrione,6-hydroxyuracil,pyrimidinetrione,2,4,6-trihydroxypyrimidine,2,4,6-pyrimidinetrione,pyrimidine-2,4,6 1h,3h,5h-trione,barbiturate,malonylharnstoff
IUPAC Name	1,3-diazinane-2,4,6-trione
InChI Key	HNYOPLTXPVRDBG-UHFFFAOYSA-N
Molecular Formula	C4H4N2O3

Guanosine, 99%

CAS: 118-00-3 Molecular Formula: C10H13N5O5 Molecular Weight (g/mol): 283.24 MDL Number: MFCD00010182 InChI Key: NYHBQMYGNKIUIF-UUOKFMHZSA-N Synonym: guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine PubChem CID: 6802 ChEBI: CHEBI:16750 SMILES: NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1

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PubChem CID	6802
CAS	118-00-3
Molecular Weight (g/mol)	283.24
ChEBI	CHEBI:16750
MDL Number	MFCD00010182
SMILES	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
Synonym	guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine
InChI Key	NYHBQMYGNKIUIF-UUOKFMHZSA-N
Molecular Formula	C10H13N5O5

Thermo Scientific Chemicals Uracil, 99+%

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1H-pyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

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PubChem CID	1174
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
MDL Number	MFCD00006016
SMILES	O=C1NC=CC(=O)N1
Synonym	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

Thiamine hydrochloride, 99% (dry wt.), may cont. up to 5% water

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

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Specifications

PubChem CID	6202
CAS	67-03-8
Molecular Weight (g/mol)	337.263
ChEBI	CHEBI:49105
MDL Number	MFCD00012780
SMILES	CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym	thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name	2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key	DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula	C12H18Cl2N4OS

Thermo Scientific Chemicals Cytosine, 98+%

CAS: 71-30-7 Molecular Formula: C4H5N3O Molecular Weight (g/mol): 111.10 MDL Number: MFCD00006034 InChI Key: OPTASPLRGRRNAP-UHFFFAOYSA-N Synonym: cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine PubChem CID: 597 ChEBI: CHEBI:16040 SMILES: NC1=CC=NC(=O)N1

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PubChem CID	597
CAS	71-30-7
Molecular Weight (g/mol)	111.10
ChEBI	CHEBI:16040
MDL Number	MFCD00006034
SMILES	NC1=CC=NC(=O)N1
Synonym	cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine
InChI Key	OPTASPLRGRRNAP-UHFFFAOYSA-N
Molecular Formula	C4H5N3O

PubChem CID	6802
CAS	118-00-3
Molecular Weight (g/mol)	283.24
ChEBI	CHEBI:16750
MDL Number	MFCD00010182
SMILES	NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
Synonym	guanosine,guanine riboside,vernine,guanozin,guanosin,inosine, 2-amino,usaf cb-11,vernine van,l-guanosine,9-beta-d-ribofuranosylguanine
InChI Key	NYHBQMYGNKIUIF-UUOKFMHZSA-N
Molecular Formula	C10H13N5O5

5-Chloropyrimidine, 95%

CAS: 17180-94-8 Molecular Formula: C4H3ClN2 Molecular Weight (g/mol): 114.53 MDL Number: MFCD03840717 InChI Key: ZLNPDTOTEVIMMY-UHFFFAOYSA-N Synonym: pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci PubChem CID: 12600384 IUPAC Name: 5-chloropyrimidine SMILES: ClC1=CN=CN=C1

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Specifications

PubChem CID	12600384
CAS	17180-94-8
Molecular Weight (g/mol)	114.53
MDL Number	MFCD03840717
SMILES	ClC1=CN=CN=C1
Synonym	pyrimidine, 5-chloro,5-chloro-pyrimidine,5-choloropyrimidine,5-chloranylpyrimidine,pubchem7041,pyrimidine, 5-chloro-6ci,8ci,9ci
IUPAC Name	5-chloropyrimidine
InChI Key	ZLNPDTOTEVIMMY-UHFFFAOYSA-N
Molecular Formula	C4H3ClN2

Guanine, 99+%

CAS: 73-40-5 Molecular Formula: C5H5N5O Molecular Weight (g/mol): 151.13 MDL Number: MFCD00071533 InChI Key: UYTPUPDQBNUYGX-UHFFFAOYSA-N Synonym: guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence PubChem CID: 764 ChEBI: CHEBI:16235 IUPAC Name: 2-amino-3,7-dihydropurin-6-one SMILES: NC1=NC(=O)C2=C(N1)N=CN2

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Specifications

PubChem CID	764
CAS	73-40-5
Molecular Weight (g/mol)	151.13
ChEBI	CHEBI:16235
MDL Number	MFCD00071533
SMILES	NC1=NC(=O)C2=C(N1)N=CN2
Synonym	guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
IUPAC Name	2-amino-3,7-dihydropurin-6-one
InChI Key	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula	C5H5N5O

2-Hydroxypyrimidine hydrochloride, 98%

CAS: 38353-09-2 Molecular Formula: C₄H₄N₂O·ClH Molecular Weight (g/mol): 132.55 MDL Number: MFCD00012781 InChI Key: IAJINJSFYTZPEJ-UHFFFAOYSA-N Synonym: 2-hydroxypyrimidine hydrochloride,pyrimidin-2-ol hydrochloride,2 1h-pyrimidinone, monohydrochloride,2-hydroxypyrimidine hcl,2-pyrimidinone hydrochloride,pyrimidin-2 1h-one hydrochloride,2-hydroxypyrimidinehydrochloride,pyrimidin-2-one monohydrochloride,1,2-dihydropyrimidin-2-one hydrochloride,pyrimidin-2-one hydrochloride PubChem CID: 122774 IUPAC Name: 1H-pyrimidin-2-one;hydrochloride SMILES: C1=CNC(=O)N=C1.Cl

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PubChem CID	122774
CAS	38353-09-2
Molecular Weight (g/mol)	132.55
MDL Number	MFCD00012781
SMILES	C1=CNC(=O)N=C1.Cl
Synonym	2-hydroxypyrimidine hydrochloride,pyrimidin-2-ol hydrochloride,2 1h-pyrimidinone, monohydrochloride,2-hydroxypyrimidine hcl,2-pyrimidinone hydrochloride,pyrimidin-2 1h-one hydrochloride,2-hydroxypyrimidinehydrochloride,pyrimidin-2-one monohydrochloride,1,2-dihydropyrimidin-2-one hydrochloride,pyrimidin-2-one hydrochloride
IUPAC Name	1H-pyrimidin-2-one;hydrochloride
InChI Key	IAJINJSFYTZPEJ-UHFFFAOYSA-N
Molecular Formula	C₄H₄N₂O·ClH

5,6-Dihydro-5-methyluracil, 98+%

CAS: 696-04-8 Molecular Formula: C5H8N2O2 Molecular Weight (g/mol): 128.13 MDL Number: MFCD00023159 InChI Key: NBAKTGXDIBVZOO-UHFFFAOYNA-N Synonym: dihydrothymine,5,6-dihydro-5-methyluracil,5,6-dihydrothymine,5-methyl-5,6-dihydrouracil,hydrouracil, 5-methyl,5-methyl-hydrouracil,5-methyldihydropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, dihydro-5-methyl,5,6-dihydro-5-methyl-2,4-dioxypyrimidine,5,6-dihydro-2,4-dihydroxy-5-methylpyrimidine PubChem CID: 93556 ChEBI: CHEBI:27468 IUPAC Name: 5-methyl-1,3-diazinane-2,4-dione SMILES: CC1CNC(=O)NC1=O

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Specifications

PubChem CID	93556
CAS	696-04-8
Molecular Weight (g/mol)	128.13
ChEBI	CHEBI:27468
MDL Number	MFCD00023159
SMILES	CC1CNC(=O)NC1=O
Synonym	dihydrothymine,5,6-dihydro-5-methyluracil,5,6-dihydrothymine,5-methyl-5,6-dihydrouracil,hydrouracil, 5-methyl,5-methyl-hydrouracil,5-methyldihydropyrimidine-2,4 1h,3h-dione,2,4 1h,3h-pyrimidinedione, dihydro-5-methyl,5,6-dihydro-5-methyl-2,4-dioxypyrimidine,5,6-dihydro-2,4-dihydroxy-5-methylpyrimidine
IUPAC Name	5-methyl-1,3-diazinane-2,4-dione
InChI Key	NBAKTGXDIBVZOO-UHFFFAOYNA-N
Molecular Formula	C5H8N2O2

Guanine, 98%

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Specifications

PubChem CID	764
CAS	73-40-5
Molecular Weight (g/mol)	151.13
ChEBI	CHEBI:16235
MDL Number	MFCD00071533
SMILES	NC1=NC(=O)C2=C(N1)N=CN2
Synonym	guanine,2-amino-6-hydroxypurine,guanin,2-aminohypoxanthine,mearlmaid,pearl essence,guanine enol,stella polaris,dew pearl,natural pearl essence
InChI Key	UYTPUPDQBNUYGX-UHFFFAOYSA-N
Molecular Formula	C5H5N5O

Thermo Scientific Chemicals Uracil, 99+%

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Specifications

PubChem CID	1174
CAS	66-22-8
Molecular Weight (g/mol)	112.09
ChEBI	CHEBI:17568
MDL Number	MFCD00006016
SMILES	O=C1NC=CC(=O)N1
Synonym	uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name	1H-pyrimidine-2,4-dione
InChI Key	ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

Cytosine, 99+%

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PubChem CID	597
CAS	71-30-7
Molecular Weight (g/mol)	111.10
ChEBI	CHEBI:16040
MDL Number	MFCD00006034
SMILES	NC1=CC=NC(=O)N1
Synonym	cytosine,4-amino-2-hydroxypyrimidine,cytosinimine,2 1h-pyrimidinone, 4-amino,4-amino-2 1h-pyrimidinone,4-aminopyrimidin-2 1h-one,6-aminopyrimidin-2 1h-one,2 1h-pyrimidinone, 6-amino,cyt,4-amino-2-oxo-1,2-dihydropyrimidine
InChI Key	OPTASPLRGRRNAP-UHFFFAOYSA-N
Molecular Formula	C4H5N3O

Orotic acid, 98%, anhydrous

CAS: 65-86-1 Molecular Formula: C₅H₄N₂O₄ Molecular Weight (g/mol): 156.1 InChI Key: PXQPEWDEAKTCGB-UHFFFAOYSA-N Synonym: orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor PubChem CID: 967 ChEBI: CHEBI:16742 IUPAC Name: 2,4-dioxo-1H-pyrimidine-6-carboxylic acid SMILES: C1=C(NC(=O)NC1=O)C(=O)O

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Specifications

PubChem CID	967
CAS	65-86-1
Molecular Weight (g/mol)	156.1
ChEBI	CHEBI:16742
SMILES	C1=C(NC(=O)NC1=O)C(=O)O
Synonym	orotic acid,6-carboxyuracil,orodin,oropur,orotonin,orotonsan,oroturic,orotyl,vitamin b13,whey factor
IUPAC Name	2,4-dioxo-1H-pyrimidine-6-carboxylic acid
InChI Key	PXQPEWDEAKTCGB-UHFFFAOYSA-N
Molecular Formula	C₅H₄N₂O₄

2-chloropyrimidine-5-carboxylic acid, 97%

CAS: 374068-01-6 Molecular Formula: C5H3ClN2O2 Molecular Weight (g/mol): 158.54 MDL Number: MFCD06739036 InChI Key: DUCXUPKLVVSJKA-UHFFFAOYSA-N Synonym: 2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid PubChem CID: 11094906 IUPAC Name: 2-chloropyrimidine-5-carboxylic acid SMILES: OC(=O)C1=CN=C(Cl)N=C1

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Specifications

PubChem CID	11094906
CAS	374068-01-6
Molecular Weight (g/mol)	158.54
MDL Number	MFCD06739036
SMILES	OC(=O)C1=CN=C(Cl)N=C1
Synonym	2-chloro-pyrimidine-5-carboxylic acid,2-chloro-5-carboxypyrimidine,5-carboxy-2-chloropyrimidine,5-pyrimidinecarboxylicacid, 2-chloro,2-chloro-5-pyrimidinecarboxylic acid,5-pyrimidinecarboxylic acid, 2-chloro,2-chloropyrimidine-5-carboxylicacid,acmc-1aig3,2-chloropyrimidine 5-carboxylic acid,2-chloro-5-pyrimidine carboxylic acid
IUPAC Name	2-chloropyrimidine-5-carboxylic acid
InChI Key	DUCXUPKLVVSJKA-UHFFFAOYSA-N
Molecular Formula	C5H3ClN2O2

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