6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

C12H10N2O3 — CID 83711439

IUPAC6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1cccc(-c2[nH]c(=O)ncc2C(=O)O)c1
InChIInChI=1S/C12H10N2O3/c1-7-3-2-4-8(5-7)10-9(11(15)16)6-13-12(17)14-10/h2-6H,1H3,(H,15,16)(H,13,14,17)
InChIKeyAUQLSBGZNRPHTC-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.44
Rot. Bonds2

About 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid

6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 83711439) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID83711439
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCc1cccc(-c2[nH]c(=O)ncc2C(=O)O)c1
InChIInChI=1S/C12H10N2O3/c1-7-3-2-4-8(5-7)10-9(11(15)16)6-13-12(17)14-10/h2-6H,1H3,(H,15,16)(H,13,14,17)
InChIKeyAUQLSBGZNRPHTC-UHFFFAOYSA-N
XLogP1.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82384684
2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82391091
6-(3-methylphenyl)-1H-quinazolin-2-one
CID 123895489
2-chloro-5-(3-methylphenyl)pyridine-3-carboxylic acid
CID 53222523
6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82484338
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
6-(3,4-dimethylphenyl)-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
CID 116821494
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
5-chloro-4-(3-methylphenyl)pyrimidine-2-carboxylic acid
CID 156842703
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid (CID 83711439) is 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is Cc1cccc(-c2[nH]c(=O)ncc2C(=O)O)c1.
What is the InChIKey of 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is AUQLSBGZNRPHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-3-2-4-8(5-7)10-9(11(15)16)6-13-12(17)14-10/h2-6H,1H3,(H,15,16)(H,13,14,17).
What are the key properties of 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid?
6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83711439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).