6-methyl-2-propyl-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine

• ChemBase ID: 314332
• Molecular Formular: C15H20N4
• Molecular Mass: 256.3461
• Monoisotopic Mass: 256.16879666
• SMILES: n1c(cc(nc1CCC)C)NCCc1ncccc1
• Canonical SMILES: CCCc1nc(NCCc2ccccn2)cc(n1)C
• InChI: InChI=1S/C15H20N4/c1-3-6-14-18-12(2)11-15(19-14)17-10-8-13-7-4-5-9-16-13/h4-5,7,9,11H,3,6,8,10H2,1-2H3,(H,17,18,19)
• InChIKey: PUOAMISMRSVYHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-propyl-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-2-propyl-N-[2-(pyridin-2-yl)ethyl]pyrimidin-4-amine
• Synonyms: 6-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2052524
• LogD (pH = 7.4): 2.722113
• Log P: 2.8496122
• Molar Refractivity: 78.3063 cm^3
• Polarizability: 29.18925 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: 3.15
• LOG S: -2.46
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 6