6-methyl-2-(pyridin-3-yl)-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)pyrimidin-4-amine

• ChemBase ID: 477234
• Molecular Formular: C19H19N7
• Molecular Mass: 345.40106
• Monoisotopic Mass: 345.17019364
• SMILES: n12c(nnc1CCCNc1nc(nc(c1)C)c1cnccc1)cccc2
• Canonical SMILES: Cc1cc(NCCCc2nnc3n2cccc3)nc(n1)c1cccnc1
• InChI: InChI=1S/C19H19N7/c1-14-12-16(23-19(22-14)15-6-4-9-20-13-15)21-10-5-8-18-25-24-17-7-2-3-11-26(17)18/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,21,22,23)
• InChIKey: PHYFPMJLRFLPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(pyridin-3-yl)-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-(pyridin-3-yl)-N-(3-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}propyl)pyrimidin-4-amine
• Synonyms: 6-methyl-2-pyridin-3-yl-N-(3-[1,2,4]triazolo[4,3-a]pyridin-3-ylpropyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.2454158
• LogD (pH = 7.4): 1.7783574
• Log P: 1.7919264
• Molar Refractivity: 114.5639 cm^3
• Polarizability: 37.934963 Å^3
• Polar Surface Area: 80.89 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.8
• LOG S: -3.25
• Polar Surface Area: 80.89 Å^2
• Rotatable Bonds: 6