5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid

C11H8N2O4 — CID 135406878

IUPAC5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
InChIKeyZCILTNACHNCSCB-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.84
Rot. Bonds2

About 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid

5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid (PubChem CID 135406878) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
PubChem CID135406878
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15)
InChIKeyZCILTNACHNCSCB-UHFFFAOYSA-N
XLogP0.84
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.84
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
N-benzyl-5,6-dihydroxy-2-phenylpyrimidine-4-carboxamide
CID 135602092
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
5,6-Dihydroxy-2-(3-hydroxyphenyl)pyrimidine-4-carboxylic acid
CID 135410230
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-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid (CID 135406878) is 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is ZCILTNACHNCSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-8-7(11(16)17)12-9(13-10(8)15)6-4-2-1-3-5-6/h1-5,14H,(H,16,17)(H,12,13,15).
What are the key properties of 5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
5-hydroxy-6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 232.20 g/mol, XLogP of 0.84, 2 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-phenyl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135406878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).