CAS 1111113-09-7

5-(2-Chloro-4-ethoxyphenyl)-2(1H)-pyrimidinone

Description:

5-(2-Chloro-4-ethoxyphenyl)-2(1H)-pyrimidinone is a chemical compound characterized by its pyrimidinone core, which is a six-membered heterocyclic ring containing nitrogen atoms. The presence of a chloro substituent and an ethoxy group on the phenyl ring contributes to its unique reactivity and solubility properties. This compound may exhibit biological activity, potentially serving as a pharmacophore in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its molecular structure suggests it could participate in hydrogen bonding and other intermolecular interactions, influencing its behavior in various solvents. The compound's CAS number, 1111113-09-7, allows for its identification in chemical databases, facilitating research and application in various fields, including organic synthesis and drug discovery. As with many organic compounds, its stability, reactivity, and potential applications would depend on the specific conditions under which it is used, including temperature, pH, and the presence of other reagents.

Formula: C₁₂H₁₁ClN₂O₂

InChI: InChI=1S/C12H11ClN2O2/c1-2-17-9-3-4-10(11(13)5-9)8-6-14-12(16)15-7-8/h3-7H,2H2,1H3,(H,14,15,16)

InChI key: InChIKey=FCPPXBXGAQGFDX-UHFFFAOYSA-N

SMILES: ClC1=C(C=CC(OCC)=C1)C2=CNC(=O)N=C2

Synonyms:

• 5-(2-Chloro-4-ethoxyphenyl)-2(1H)-pyrimidinone
• 2(1H)-Pyrimidinone, 5-(2-chloro-4-ethoxyphenyl)-