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

C12H10N2O4 — CID 135434386

IUPAC5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C12H10N2O4/c1-6-2-4-7(5-3-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKeyWWIKOLOWSANPCN-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.15
Rot. Bonds2

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

5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434386) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434386
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1
InChIInChI=1S/C12H10N2O4/c1-6-2-4-7(5-3-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKeyWWIKOLOWSANPCN-UHFFFAOYSA-N
XLogP1.15
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434386) is 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)cc1.
What is the InChIKey of 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is WWIKOLOWSANPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-6-2-4-7(5-3-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 246.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).