5-(2,4,6-trimethylphenyl)pyrazin-2-amine

• ChemBase ID: 521373
• Molecular Formular: C13H15N3
• Molecular Mass: 213.2783
• Monoisotopic Mass: 213.1265975
• SMILES: c1(c(c(cc(c1)C)C)c1ncc(nc1)N)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)c1cnc(cn1)N
• InChI: InChI=1S/C13H15N3/c1-8-4-9(2)13(10(3)5-8)11-6-16-12(14)7-15-11/h4-7H,1-3H3,(H2,14,16)
• InChIKey: UZDIZDQVMTYOEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,4,6-trimethylphenyl)pyrazin-2-amine
• IUPAC Traditional name: 5-(2,4,6-trimethylphenyl)pyrazin-2-amine
• Synonyms: 5-mesityl-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8766465
• LogD (pH = 7.4): 2.8767707
• Log P: 2.8767724
• Molar Refractivity: 66.6459 cm^3
• Polarizability: 25.968618 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: 2.67
• LOG S: -3.04
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1