3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one

C12H11ClN2O2 — CID 146345883

IUPAC3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one
SMILESCc1cccc(-n2c(C)nc(O)cc2=O)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-7-4-3-5-9(12(7)13)15-8(2)14-10(16)6-11(15)17/h3-6,16H,1-2H3
InChIKeyGYGBLQQESYQRJT-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.21
Rot. Bonds1

About 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one

3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one (PubChem CID 146345883) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one
PubChem CID146345883
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one
SMILESCc1cccc(-n2c(C)nc(O)cc2=O)c1Cl
InChIInChI=1S/C12H11ClN2O2/c1-7-4-3-5-9(12(7)13)15-8(2)14-10(16)6-11(15)17/h3-6,16H,1-2H3
InChIKeyGYGBLQQESYQRJT-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-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 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one?
The IUPAC name of 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one (CID 146345883) is 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one is Cc1cccc(-n2c(C)nc(O)cc2=O)c1Cl.
What is the InChIKey of 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one?
The InChIKey is GYGBLQQESYQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-7-4-3-5-9(12(7)13)15-8(2)14-10(16)6-11(15)17/h3-6,16H,1-2H3.
What are the key properties of 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one?
3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one has a molecular weight of 250.69 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-methylphenyl)-6-hydroxy-2-methylpyrimidin-4-one is sourced from PubChem (CID 146345883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).