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

C11H8N2O3 — CID 817776

IUPAC6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-10-8(11(15)16)6-12-9(13-10)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKeyHADBIMYTRIMUAO-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.14
Rot. Bonds2

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

6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid (PubChem CID 817776) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid
PubChem CID817776
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H8N2O3/c14-10-8(11(15)16)6-12-9(13-10)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H,12,13,14)
InChIKeyHADBIMYTRIMUAO-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

Analyze 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 4-hydroxy-2-phenylpyrimidine-5-carboxylate
CID 657593
2-Phenylpyrimidin-4-ol
CID 259156
ethyl 2-(2-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 12535796
ethyl 6-oxo-2-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylate
CID 12535812
Ethyl 4-hydroxy-2-(4'-trifluoromethylphenyl)pyrimidine-5-carboxylate
CID 12535815
2-(2-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535837
2-(2-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535838
2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535857
6-oxo-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxylic acid
CID 12535858
2-[(4-fluorophenyl)methylamino]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 89880303
2-(2-aminophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535840
2-(2-methylsulfanylphenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 12535852

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid (CID 817776) is 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid?
The InChIKey is HADBIMYTRIMUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c14-10-8(11(15)16)6-12-9(13-10)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-5-carboxylic acid?
6-oxo-2-phenyl-1H-pyrimidine-5-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-5-carboxylic acid is sourced from PubChem (CID 817776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).