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

C11H8N2O3 — CID 135515833

IUPAC6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C11H8N2O3/c14-9-6-8(11(15)16)12-10(13-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKeySNFPSSBYDIFPOX-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.14
Rot. Bonds2

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

6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid (PubChem CID 135515833) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
PubChem CID135515833
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(-c2ccccc2)n1
InChIInChI=1S/C11H8N2O3/c14-9-6-8(11(15)16)12-10(13-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKeySNFPSSBYDIFPOX-UHFFFAOYSA-N
XLogP1.14
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-Phenylpyrimidine-4,6-diol
CID 241011
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
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
2-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 136086816
2-(4-fluorophenyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 168279888
6-(Methoxymethyl)-2-phenyl-4-pyrimidinol
CID 135472891

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid (CID 135515833) is 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(-c2ccccc2)n1.
What is the InChIKey of 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is SNFPSSBYDIFPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-9-6-8(11(15)16)12-10(13-9)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14).
What are the key properties of 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid?
6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 216.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-phenyl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135515833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).