6-cyclopropyl-N-[3-(pyridin-3-yl)propyl]pyrimidin-4-amine

• ChemBase ID: 500086
• Molecular Formular: C15H18N4
• Molecular Mass: 254.33022
• Monoisotopic Mass: 254.1531466
• SMILES: C1(c2cc(ncn2)NCCCc2cnccc2)CC1
• Canonical SMILES: c1ccc(cn1)CCCNc1ncnc(c1)C1CC1
• InChI: InChI=1S/C15H18N4/c1-3-12(10-16-7-1)4-2-8-17-15-9-14(13-5-6-13)18-11-19-15/h1,3,7,9-11,13H,2,4-6,8H2,(H,17,18,19)
• InChIKey: SDCAXJZLFAIEGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclopropyl-N-[3-(pyridin-3-yl)propyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-cyclopropyl-N-[3-(pyridin-3-yl)propyl]pyrimidin-4-amine
• Synonyms: 6-cyclopropyl-N-(3-pyridin-3-ylpropyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6035368
• LogD (pH = 7.4): 2.254839
• Log P: 2.268168
• Molar Refractivity: 77.032 cm^3
• Polarizability: 28.534416 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: 2.66
• LOG S: -1.82
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 6