5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

C12H10N2O4 — CID 135434358

IUPAC5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C12H10N2O4/c1-6-3-2-4-7(5-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKeyAEIGVIQCIIKPNJ-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.15
Rot. Bonds2

About 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid

5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434358) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434358
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1
InChIInChI=1S/C12H10N2O4/c1-6-3-2-4-7(5-6)10-13-8(12(17)18)9(15)11(16)14-10/h2-5,15H,1H3,(H,17,18)(H,13,14,16)
InChIKeyAEIGVIQCIIKPNJ-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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Related Compounds

3-Hydroxy-6-[2-methyl-4-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 138455153
2-Benzyl-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135465481
5-Hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylic acid
CID 135406878
2-(4-Chlorophenyl)-5,6-dihydroxypyrimidine-4-carboxylic acid
CID 135434387
Methyl 5-hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylate
CID 135483599
Pyrimidinol carboxylic acid, 8
CID 135928510
5-hydroxy-6-oxo-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid
CID 168278970
Methyl 2-benzyl-5,6-dihydroxypyrimidine-4-carboxylate
CID 135466449
2-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136086816
Methyl 2-(4-fluorophenyl)-5,6-dihydroxypyrimidine-4-carboxylate
CID 136098690
5-hydroxy-2-[(4-methylphenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168278513
2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168279888

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434358) is 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is Cc1cccc(-c2nc(C(=O)O)c(O)c(=O)[nH]2)c1.
What is the InChIKey of 5-hydroxy-2-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is AEIGVIQCIIKPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-6-3-2-4-7(5-6)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-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-2-(3-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-(3-methylphenyl)-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).