CAS 85979-56-2

6-(3-Fluorophenyl)-4(3H)-pyrimidinone

Description:

6-(3-Fluorophenyl)-4(3H)-pyrimidinone, identified by its CAS number 85979-56-2, is a chemical compound characterized by its pyrimidinone core structure, which features a fluorophenyl substituent at the 6-position. This compound typically exhibits properties associated with heterocyclic aromatic compounds, including potential solubility in organic solvents and moderate stability under standard conditions. The presence of the fluorine atom can influence its electronic properties, potentially enhancing lipophilicity and altering reactivity compared to non-fluorinated analogs. It may also exhibit biological activity, making it of interest in medicinal chemistry and drug development. The compound's molecular structure suggests it could participate in hydrogen bonding and π-π stacking interactions, which are relevant in biological systems and material science. As with many pyrimidinones, it may serve as a scaffold for the development of pharmaceuticals, particularly in targeting specific biological pathways. However, detailed studies would be necessary to fully elucidate its physical and chemical properties, as well as its potential applications.

Formula: C₁₀H₇FN₂O

InChI: InChI=1S/C10H7FN2O/c11-8-3-1-2-7(4-8)9-5-10(14)13-6-12-9/h1-6H,(H,12,13,14)

InChI key: InChIKey=YWRPJIHIQQSAFE-UHFFFAOYSA-N

SMILES: FC=1C=C(C=CC1)C2=CC(=O)N=CN2

Synonyms:

• 4(3H)-Pyrimidinone, 6-(3-fluorophenyl)-
• 4(1H)-Pyrimidinone, 6-(3-fluorophenyl)-
• 6-(3-Fluorophenyl)-4(3H)-pyrimidinone