5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

• ChemBase ID: 571044
• Molecular Formular: C13H15N3O3
• Molecular Mass: 261.2765
• Monoisotopic Mass: 261.11134136
• SMILES: c1(c(cc(cc1OC)c1ncc(nc1)N)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1ncc(nc1)N
• InChI: InChI=1S/C13H15N3O3/c1-17-10-4-8(5-11(18-2)13(10)19-3)9-6-16-12(14)7-15-9/h4-7H,1-3H3,(H2,14,16)
• InChIKey: MVCSIHSAEKWJEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
• IUPAC Traditional name: 5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
• Synonyms: 5-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.8633731
• LogD (pH = 7.4): 0.8634929
• Log P: 0.86349446
• Molar Refractivity: 70.9119 cm^3
• Polarizability: 28.176535 Å^3
• Polar Surface Area: 79.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.37
• LOG S: -2.28
• Polar Surface Area: 79.49 Å^2
• Rotatable Bonds: 4