2-(2-ethoxypyridin-3-yl)-N,6-dimethylpyrimidin-4-amine

• ChemBase ID: 504881
• Molecular Formular: C13H16N4O
• Molecular Mass: 244.29234
• Monoisotopic Mass: 244.13241115
• SMILES: c1(nc(cc(n1)C)NC)c1c(nccc1)OCC
• Canonical SMILES: CCOc1ncccc1c1nc(C)cc(n1)NC
• InChI: InChI=1S/C13H16N4O/c1-4-18-13-10(6-5-7-15-13)12-16-9(2)8-11(14-3)17-12/h5-8H,4H2,1-3H3,(H,14,16,17)
• InChIKey: HJIZXPYIVLHBLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxypyridin-3-yl)-N,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2-(2-ethoxypyridin-3-yl)-N,6-dimethylpyrimidin-4-amine
• Synonyms: 2-(2-ethoxypyridin-3-yl)-N,6-dimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.158063
• LogD (pH = 7.4): 2.3254693
• Log P: 2.328086
• Molar Refractivity: 82.6006 cm^3
• Polarizability: 27.025993 Å^3
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.02
• LOG S: -2.71
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 4