6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid

C12H12N2O3 — CID 170923694

IUPAC6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(C2CC(C(=O)O)=NC(=O)N2)cc1
InChIInChI=1S/C12H12N2O3/c1-7-2-4-8(5-3-7)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyYAXDOAVIBOYNRK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.68
Rot. Bonds2

About 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid

6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid (PubChem CID 170923694) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid
PubChem CID170923694
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(C2CC(C(=O)O)=NC(=O)N2)cc1
InChIInChI=1S/C12H12N2O3/c1-7-2-4-8(5-3-7)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyYAXDOAVIBOYNRK-UHFFFAOYSA-N
XLogP1.68
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-5-(4-methylphenyl)-1,5-dihydroimidazol-2-one
CID 79961557
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116979506
5-(4-methylphenyl)pyrrolidin-3-one;hydrochloride
CID 115027658
2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
tert-butyl 5-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 102413795
3-[4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979660
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23881832
4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 2763318
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 19100057
carbonic acid;1,4-xylene
CID 89415214

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid (CID 170923694) is 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid is Cc1ccc(C2CC(C(=O)O)=NC(=O)N2)cc1.
What is the InChIKey of 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid?
The InChIKey is YAXDOAVIBOYNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-7-2-4-8(5-3-7)9-6-10(11(15)16)14-12(17)13-9/h2-5,9H,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid?
6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 170923694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).