2-(4,6-dimethoxypyrimidin-2-yl)aniline

• ChemBase ID: 460259
• Molecular Formular: C12H13N3O2
• Molecular Mass: 231.25052
• Monoisotopic Mass: 231.10077667
• SMILES: c1(nc(cc(n1)OC)OC)c1c(N)cccc1
• Canonical SMILES: COc1cc(OC)nc(n1)c1ccccc1N
• InChI: InChI=1S/C12H13N3O2/c1-16-10-7-11(17-2)15-12(14-10)8-5-3-4-6-9(8)13/h3-7H,13H2,1-2H3
• InChIKey: BTXQOBHLTZOBDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,6-dimethoxypyrimidin-2-yl)aniline
• IUPAC Traditional name: 2-(4,6-dimethoxypyrimidin-2-yl)aniline
• Synonyms: 2-(4,6-dimethoxypyrimidin-2-yl)aniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4770243
• LogD (pH = 7.4): 2.4779198
• Log P: 2.4779313
• Molar Refractivity: 76.3872 cm^3
• Polarizability: 24.99305 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.29
• LOG S: -2.84
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 3