6-chloro-2-methyl-3-phenylpyrimidin-4-one

C11H9ClN2O — CID 19754184

IUPAC6-chloro-2-methyl-3-phenylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H9ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJZCUVRPSUKLRHT-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.19
Rot. Bonds1

About 6-chloro-2-methyl-3-phenylpyrimidin-4-one

6-chloro-2-methyl-3-phenylpyrimidin-4-one (PubChem CID 19754184) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-phenylpyrimidin-4-one
PubChem CID19754184
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name6-chloro-2-methyl-3-phenylpyrimidin-4-one
SMILESCc1nc(Cl)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H9ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyJZCUVRPSUKLRHT-UHFFFAOYSA-N
XLogP2.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-methyl-3-phenylpyrimidin-4-one 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 6-chloro-2-methyl-3-phenylpyrimidin-4-one?
The IUPAC name of 6-chloro-2-methyl-3-phenylpyrimidin-4-one (CID 19754184) is 6-chloro-2-methyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-phenylpyrimidin-4-one is Cc1nc(Cl)cc(=O)n1-c1ccccc1.
What is the InChIKey of 6-chloro-2-methyl-3-phenylpyrimidin-4-one?
The InChIKey is JZCUVRPSUKLRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-8-13-10(12)7-11(15)14(8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 6-chloro-2-methyl-3-phenylpyrimidin-4-one?
6-chloro-2-methyl-3-phenylpyrimidin-4-one has a molecular weight of 220.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 19754184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).