5-(6-methyl-9H-purin-9-yl)pyridin-2-amine

• ChemBase ID: 786201
• Molecular Formular: C11H10N6
• Molecular Mass: 226.2373
• Monoisotopic Mass: 226.09669435
• SMILES: n1(c2c(nc1)c(ncn2)C)c1cnc(N)cc1
• Canonical SMILES: Nc1ccc(cn1)n1cnc2c1ncnc2C
• InChI: InChI=1S/C11H10N6/c1-7-10-11(15-5-14-7)17(6-16-10)8-2-3-9(12)13-4-8/h2-6H,1H3,(H2,12,13)
• InChIKey: ORIFTTKGTMAOQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methyl-9H-purin-9-yl)pyridin-2-amine
• IUPAC Traditional name: 5-(6-methylpurin-9-yl)pyridin-2-amine
• Synonyms: 5-(6-methyl-9H-purin-9-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.6498684
• LogD (pH = 7.4): 0.21845165
• Log P: 0.26431954
• Molar Refractivity: 74.0275 cm^3
• Polarizability: 24.476376 Å^3
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.25
• LOG S: -2.38
• Polar Surface Area: 82.51 Å^2
• Rotatable Bonds: 1