N,2-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine

• ChemBase ID: 804304
• Molecular Formular: C7H8F3N3
• Molecular Mass: 191.1537296
• Monoisotopic Mass: 191.06703193
• SMILES: c1c(nc(nc1C(F)(F)F)C)NC
• Canonical SMILES: CNc1nc(C)nc(c1)C(F)(F)F
• InChI: InChI=1S/C7H8F3N3/c1-4-12-5(7(8,9)10)3-6(11-2)13-4/h3H,1-2H3,(H,11,12,13)
• InChIKey: SQBFGPDVSMJSRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
• IUPAC Traditional name: N,2-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
• Synonyms: 6-(TRIFLUOROMETHYL)-N,2-DIMETHYLPYRIMIDIN-4-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9973693
• LogD (pH = 7.4): 2.0030742
• Log P: 2.0031474
• Molar Refractivity: 43.4557 cm^3
• Polarizability: 14.622219 Å^3
• Polar Surface Area: 37.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%