N-[3-(2-fluorophenyl)propyl]-4-(pyridin-2-yl)pyrimidin-2-amine

• ChemBase ID: 460665
• Molecular Formular: C18H17FN4
• Molecular Mass: 308.3527832
• Monoisotopic Mass: 308.14372478
• SMILES: n1c(nccc1c1ncccc1)NCCCc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1CCCNc1nccc(n1)c1ccccn1
• InChI: InChI=1S/C18H17FN4/c19-15-8-2-1-6-14(15)7-5-12-21-18-22-13-10-17(23-18)16-9-3-4-11-20-16/h1-4,6,8-11,13H,5,7,12H2,(H,21,22,23)
• InChIKey: OJKMWGLYGCRGQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-fluorophenyl)propyl]-4-(pyridin-2-yl)pyrimidin-2-amine
• IUPAC Traditional name: N-[3-(2-fluorophenyl)propyl]-4-(pyridin-2-yl)pyrimidin-2-amine
• Synonyms: N-[3-(2-fluorophenyl)propyl]-4-(2-pyridinyl)-2-pyrimidinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.618868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.000595
• LogD (pH = 7.4): 4.0029283
• Log P: 4.0029583
• Molar Refractivity: 89.2824 cm^3
• Polarizability: 34.435246 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.31
• LOG S: -4.77
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 6