N-ethyl-N-methyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine

• ChemBase ID: 512348
• Molecular Formular: C13H12F3N3
• Molecular Mass: 267.2496896
• Monoisotopic Mass: 267.09833206
• SMILES: c1(cc(c2cc(c(c(c2)F)F)F)ncn1)N(CC)C
• Canonical SMILES: CCN(c1ncnc(c1)c1cc(F)c(c(c1)F)F)C
• InChI: InChI=1S/C13H12F3N3/c1-3-19(2)12-6-11(17-7-18-12)8-4-9(14)13(16)10(15)5-8/h4-7H,3H2,1-2H3
• InChIKey: MGLZFUFKTDRZLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
• IUPAC Traditional name: N-ethyl-N-methyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
• Synonyms: N-ethyl-N-methyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5174036
• LogD (pH = 7.4): 3.5695188
• Log P: 3.5702262
• Molar Refractivity: 67.6264 cm^3
• Polarizability: 25.19165 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -3.59
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3