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

C13H12N2O4 — CID 135928510

IUPAC5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17)
InChIKeyOJDQPOULWGKJIP-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.96
Rot. Bonds4

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

5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid (PubChem CID 135928510) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid
PubChem CID135928510
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17)
InChIKeyOJDQPOULWGKJIP-UHFFFAOYSA-N
XLogP0.96
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzyl-5,6-dihydroxy-pyrimidine-4-carboxylic acid
CID 135465481
2-(3,4-Dichlorobenzyl)-5,6-Dihydroxypyrimidine-4-Carboxylic Acid
CID 135566479
5-Hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylic acid
CID 135406878
Methyl 5-hydroxy-6-oxo-2-phenyl-3,6-dihydropyrimidine-4-carboxylate
CID 135483599
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
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
2-[(3,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168284775
methyl 2-[(2,4-difluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 168293156
5,6-Dihydroxy-2-(p-tolyl)pyrimidine-4-carboxylic acid
CID 135434386

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid (CID 135928510) is 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(CCc2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid?
The InChIKey is OJDQPOULWGKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11-10(13(18)19)14-9(15-12(11)17)7-6-8-4-2-1-3-5-8/h1-5,16H,6-7H2,(H,18,19)(H,14,15,17).
What are the key properties of 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135928510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).