5-(2,6-dimethoxyphenyl)-2,3-dimethylpyrazine

• ChemBase ID: 642387
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c1(nc(c(nc1)C)C)c1c(OC)cccc1OC
• Canonical SMILES: COc1cccc(c1c1cnc(c(n1)C)C)OC
• InChI: InChI=1S/C14H16N2O2/c1-9-10(2)16-11(8-15-9)14-12(17-3)6-5-7-13(14)18-4/h5-8H,1-4H3
• InChIKey: XSNYMNJYUCEQER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-dimethoxyphenyl)-2,3-dimethylpyrazine
• IUPAC Traditional name: 5-(2,6-dimethoxyphenyl)-2,3-dimethylpyrazine
• Synonyms: 5-(2,6-dimethoxyphenyl)-2,3-dimethylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5183642
• LogD (pH = 7.4): 1.5183743
• Log P: 1.5183744
• Molar Refractivity: 68.6178 cm^3
• Polarizability: 28.068163 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.96
• LOG S: -2.66
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3