2-Amino-4-chloro-6-(trifluoromethyl)pyrimidine-5-carbonitrile

• Catalog: OFC951753892
• CAS: 951753-89-2
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD22581581

• IUPAC Name: 2-amino-4-chloro-6-(trifluoromethyl)pyrimidine-5-carbonitrile
• InChI: InChI=1S/C6H2ClF3N4/c7-4-2(1-11)3(6(8,9)10)13-5(12)14-4/h(H2,12,13,14)
• InChI Key: CWSRLVLXBBKAFU-UHFFFAOYSA-N
• Isomeric SMILES: C(#N)C1=C(N=C(N=C1Cl)N)C(F)(F)F

• Molecular Formula: C6H2ClF3N4
• Molecular Weight: 222.56

• XLogP3-AA: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 221.9920083 g/mol
• Monoisotopic Mass: 221.9920083 g/mol
• Topological Polar Surface Area: 75.6Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 260