N-(propan-2-yl)-6-[3-(pyridin-2-yl)azetidin-1-yl]pyrimidin-4-amine

• ChemBase ID: 579636
• Molecular Formular: C15H19N5
• Molecular Mass: 269.34486
• Monoisotopic Mass: 269.16404563
• SMILES: N1(c2cc(ncn2)NC(C)C)CC(C1)c1ncccc1
• Canonical SMILES: CC(Nc1ncnc(c1)N1CC(C1)c1ccccn1)C
• InChI: InChI=1S/C15H19N5/c1-11(2)19-14-7-15(18-10-17-14)20-8-12(9-20)13-5-3-4-6-16-13/h3-7,10-12H,8-9H2,1-2H3,(H,17,18,19)
• InChIKey: WTECBQDLFQFYDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(propan-2-yl)-6-[3-(pyridin-2-yl)azetidin-1-yl]pyrimidin-4-amine
• IUPAC Traditional name: N-isopropyl-6-[3-(pyridin-2-yl)azetidin-1-yl]pyrimidin-4-amine
• Synonyms: N-isopropyl-6-[3-(2-pyridinyl)-1-azetidinyl]-4-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6742571
• LogD (pH = 7.4): 2.045958
• Log P: 2.198933
• Molar Refractivity: 81.8599 cm^3
• Polarizability: 29.745216 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.52
• LOG S: -2.02
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4