4-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

• ChemBase ID: 707254
• Molecular Formular: C13H16F3N3
• Molecular Mass: 271.2814496
• Monoisotopic Mass: 271.12963219
• SMILES: c1(cc(C2CC2)ncn1)N1CCC(C(F)(F)F)CC1
• Canonical SMILES: FC(C1CCN(CC1)c1ncnc(c1)C1CC1)(F)F
• InChI: InChI=1S/C13H16F3N3/c14-13(15,16)10-3-5-19(6-4-10)12-7-11(9-1-2-9)17-8-18-12/h7-10H,1-6H2
• InChIKey: UHCFZPYOQMDKBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
• IUPAC Traditional name: 4-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine
• Synonyms: 4-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.7569904
• LogD (pH = 7.4): 3.0720649
• Log P: 3.0780828
• Molar Refractivity: 67.0036 cm^3
• Polarizability: 24.031256 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.24
• LOG S: -4.3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2