4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid

C12H12N2O3 — CID 2763318

IUPAC4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
SMILESCc1ccc(C2C=C(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/h2-6,9H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyKQYYDIRBSOVKSK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.32
Rot. Bonds2

About 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid

4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid (PubChem CID 2763318) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
PubChem CID2763318
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
SMILESCc1ccc(C2C=C(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/h2-6,9H,1H3,(H,15,16)(H2,13,14,17)
InChIKeyKQYYDIRBSOVKSK-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 2426874
4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
CID 138593203
6-(4-chlorobenzoyl)-4-(3,5-dimethylphenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 10735953
ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 10754787
6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23881832
2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 19100057
(4-bromophenyl)methyl 2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 5461639
4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 45066445
2-[4-(4-methylphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82130864
carbonic acid;1,4-xylene
CID 89415214
6-(4-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-4-carboxylic acid
CID 170923694
tert-butyl 5-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 102413795

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid (CID 2763318) is 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid is Cc1ccc(C2C=C(C(=O)O)NC(=O)N2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
The InChIKey is KQYYDIRBSOVKSK-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/h2-6,9H,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 2763318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).