CAS 106690-56-6

2-(3-Chlorophenyl)-4(3H)-pyrimidinone

Description:

2-(3-Chlorophenyl)-4(3H)-pyrimidinone, identified by its CAS number 106690-56-6, is a chemical compound that belongs to the pyrimidinone class. This substance features a pyrimidine ring, which is a six-membered heterocyclic structure containing two nitrogen atoms at positions 1 and 3, and a phenyl group substituted at the 2-position with a chlorine atom at the para position. The presence of the chlorophenyl moiety contributes to its potential biological activity, making it of interest in medicinal chemistry. The compound is typically characterized by its solid state at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, particularly in the development of compounds with antimicrobial or anticancer properties. Additionally, the presence of the chlorine atom can influence the compound's reactivity and interaction with biological targets. As with many heterocyclic compounds, its synthesis and characterization are crucial for understanding its properties and potential applications in various fields.

Formula: C₁₀H₇ClN₂O

InChI: InChI=1S/C10H7ClN2O/c11-8-3-1-2-7(6-8)10-12-5-4-9(14)13-10/h1-6H,(H,12,13,14)

InChI key: InChIKey=HLVWCXURJXWXMZ-UHFFFAOYSA-N

SMILES: ClC=1C=C(C=CC1)C=2NC(=O)C=CN2

Synonyms:

• 2-(3-Chlorophenyl)-3,4-dihydropyrimidin-4-one
• 4(3H)-Pyrimidinone, 2-(3-chlorophenyl)-
• 4(1H)-Pyrimidinone, 2-(3-chlorophenyl)-
• 2-(3-Chlorophenyl)-4(3H)-pyrimidinone