1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid

C12H10N2O3 — CID 12535878

IUPAC1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid
SMILESCn1c(-c2ccccc2)ncc(C(=O)O)c1=O
InChIInChI=1S/C12H10N2O3/c1-14-10(8-5-3-2-4-6-8)13-7-9(11(14)15)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyMYHNOKXISRKYGY-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.15
Rot. Bonds2

About 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid

1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid (PubChem CID 12535878) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid
PubChem CID12535878
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid
SMILESCn1c(-c2ccccc2)ncc(C(=O)O)c1=O
InChIInChI=1S/C12H10N2O3/c1-14-10(8-5-3-2-4-6-8)13-7-9(11(14)15)12(16)17/h2-7H,1H3,(H,16,17)
InChIKeyMYHNOKXISRKYGY-UHFFFAOYSA-N
XLogP1.15
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-oxo-2-phenylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid?
The IUPAC name of 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid (CID 12535878) is 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid is Cn1c(-c2ccccc2)ncc(C(=O)O)c1=O.
What is the InChIKey of 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid?
The InChIKey is MYHNOKXISRKYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-14-10(8-5-3-2-4-6-8)13-7-9(11(14)15)12(16)17/h2-7H,1H3,(H,16,17).
What are the key properties of 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid?
1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-2-phenylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 12535878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).