5-Methoxy-4-(piperazin-1-yl)-2-(trifluoromethyl)pyrimidine

• Catalog: OFC1048912737
• CAS: 1048912-73-7
• Category: Fluorinated Pyrimidines
• Synonyms: 5-Methoxy-4-piperazino-2-(trifluoromethyl)-pyrimidine
• MDL Number: MFCD11100216

• IUPAC Name: 5-methoxy-4-piperazin-1-yl-2-(trifluoromethyl)pyrimidine
• InChI: InChI=1S/C10H13F3N4O/c1-18-7-6-15-9(10(11,12)13)16-8(7)17-4-2-14-3-5-17/h6,14H,2-5H2,1H3
• InChI Key: PCNXIHPTXWRZJW-UHFFFAOYSA-N
• Isomeric SMILES: COC1=CN=C(N=C1N2CCNCC2)C(F)(F)F

• Molecular Formula: C10H13F3N4O
• Molecular Weight: 262.23
• Melting Point: 101-102 °C

• XLogP3-AA: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 262.10414554 g/mol
• Monoisotopic Mass: 262.10414554 g/mol
• Topological Polar Surface Area: 50.3Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 270