5-{3-[4-(4-Fluorophenyl)piperazin-1-yl]prop-1-yn-1-yl}pyrimidine

• Catalog: OFC865658839
• CAS: 865658-83-9
• Category: Fluorinated Pyrimidines
• Synonyms: 5-{3-[4-(4-fluorophenyl)piperazino]-1-propynyl}pyrimidine
• Purity: tech
• MDL Number: MFCD03848482

• IUPAC Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-yl]prop-1-ynyl]pyrimidine
• InChI: InChI=1S/C17H17FN4/c18-16-3-5-17(6-4-16)22-10-8-21(9-11-22)7-1-2-15-12-19-14-20-13-15/h3-6,12-14H,7-11H2
• InChI Key: LIGAJXHZWWXOFP-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCN1CC#CC2=CN=CN=C2)C3=CC=C(C=C3)F

• Molecular Formula: C17H17FN4
• Molecular Weight: 296.34

• XLogP3-AA: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 296.14372472 g/mol
• Monoisotopic Mass: 296.14372472 g/mol
• Topological Polar Surface Area: 32.3Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 393