4-Piperazino-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine

• Catalog: OFC1048913945
• CAS: 1048913-94-5
• Category: Fluorinated Pyrimidines
• Synonyms: 4-piperazin-1-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
• MDL Number: MFCD11100243

• IUPAC Name: 4-piperazin-1-yl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C14H14F3N5/c15-14(16,17)11-9-12(22-7-5-18-6-8-22)21-13(20-11)10-3-1-2-4-19-10/h1-4,9,18H,5-8H2
• InChI Key: VMCUYCIJWYELCA-UHFFFAOYSA-N
• Isomeric SMILES: C1CN(CCN1)C2=NC(=NC(=C2)C(F)(F)F)C3=CC=CC=N3

• Molecular Formula: C14H14F3N5
• Molecular Weight: 309.29
• Melting Point: 133-134 °C

• XLogP3-AA: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 309.12012995 g/mol
• Monoisotopic Mass: 309.12012995 g/mol
• Topological Polar Surface Area: 53.9Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 359