5-(2,3-dimethylphenyl)pyrazin-2-amine

• ChemBase ID: 658223
• Molecular Formular: C12H13N3
• Molecular Mass: 199.25172
• Monoisotopic Mass: 199.11094743
• SMILES: c1(c(c(ccc1)C)C)c1ncc(nc1)N
• Canonical SMILES: Nc1cnc(cn1)c1cccc(c1C)C
• InChI: InChI=1S/C12H13N3/c1-8-4-3-5-10(9(8)2)11-6-15-12(13)7-14-11/h3-7H,1-2H3,(H2,13,15)
• InChIKey: UWKHRZANISMCFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,3-dimethylphenyl)pyrazin-2-amine
• IUPAC Traditional name: 5-(2,3-dimethylphenyl)pyrazin-2-amine
• Synonyms: 5-(2,3-dimethylphenyl)-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3632264
• LogD (pH = 7.4): 2.3633494
• Log P: 2.363351
• Molar Refractivity: 61.6047 cm^3
• Polarizability: 24.204115 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.42
• LOG S: -2.72
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1