6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid

C9H8N2O3 — CID 167021420

IUPAC6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)c2c(nc[nH]c2=O)C1
InChIInChI=1S/C9H8N2O3/c1-4-2-5-7(6(4)9(13)14)8(12)11-3-10-5/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyTWIZSRDXPXQDMT-UHFFFAOYSA-N
MW192.17 g/mol
LogP0.18
Rot. Bonds1

About 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid

6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid (PubChem CID 167021420) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
PubChem CID167021420
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid
SMILESCC1=C(C(=O)O)c2c(nc[nH]c2=O)C1
InChIInChI=1S/C9H8N2O3/c1-4-2-5-7(6(4)9(13)14)8(12)11-3-10-5/h3H,2H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyTWIZSRDXPXQDMT-UHFFFAOYSA-N
XLogP0.18
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetic acid
CID 135767357
6-acetyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136693506
5-methyl-5,7-dihydro-3H-furo[3,4-d]pyrimidin-4-one
CID 135741900
4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-6,7-dicarboxylic acid
CID 136651966
7-(2-methyl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137212879
3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
CID 137274745
1,4,7,9-tetrahydroimidazo[4,5-g]quinazolin-8-one
CID 137121597
7-(bicyclo[1.1.0]butane-1-carbonyl)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 167980645
5-methyl-1H-imidazol-4-ol
CID 54352844
(3R)-N-cyclopentyl-3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-3-(4-methylphenyl)propanamide
CID 139038129
5-(3,4-dihydroxypyrrolidine-1-carbonyl)-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 106671491
5-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 79404295

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid (CID 167021420) is 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid is CC1=C(C(=O)O)c2c(nc[nH]c2=O)C1.
What is the InChIKey of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
The InChIKey is TWIZSRDXPXQDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-4-2-5-7(6(4)9(13)14)8(12)11-3-10-5/h3H,2H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid?
6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-3,7-dihydrocyclopenta[d]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 167021420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).