CAS 85386-21-6

5-Methoxy-2-phenyl-4(3H)-pyrimidinone

Description:

5-Methoxy-2-phenyl-4(3H)-pyrimidinone, with the CAS number 85386-21-6, is a heterocyclic organic compound characterized by its pyrimidinone core structure, which includes a methoxy group and a phenyl substituent. This compound typically exhibits a white to off-white crystalline appearance and is soluble in organic solvents, reflecting its moderate polarity. The presence of the methoxy group enhances its lipophilicity, potentially influencing its biological activity and interactions. As a pyrimidinone derivative, it may exhibit various pharmacological properties, making it of interest in medicinal chemistry. The compound's structure allows for potential hydrogen bonding and π-π stacking interactions, which can be significant in biological systems. Its synthesis often involves multi-step organic reactions, and it may serve as a precursor or intermediate in the development of pharmaceuticals or agrochemicals. Overall, 5-Methoxy-2-phenyl-4(3H)-pyrimidinone is a compound of interest due to its unique structural features and potential applications in various fields.

Formula: C₁₁H₁₀N₂O₂

InChI: InChI=1S/C11H10N2O2/c1-15-9-7-12-10(13-11(9)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13,14)

InChI key: InChIKey=KTVNCFXEBFMNJX-UHFFFAOYSA-N

SMILES: O=C1NC(=NC=C1OC)C2=CC=CC=C2

Synonyms:

• 4(1H)-Pyrimidinone, 5-methoxy-2-phenyl-
• 2-Phenyl-4-hydroxy-5-methoxypyrimidine
• 4(3H)-Pyrimidinone, 5-methoxy-2-phenyl-
• 4-Pyrimidinol, 5-methoxy-2-phenyl-
• 5-Methoxy-2-phenyl-4(3H)-pyrimidinone