6-(6-methoxypyridin-3-yl)-N,N-dimethylpyrazin-2-amine

• ChemBase ID: 718860
• Molecular Formular: C12H14N4O
• Molecular Mass: 230.26576
• Monoisotopic Mass: 230.11676109
• SMILES: n1c(N(C)C)cncc1c1cnc(cc1)OC
• Canonical SMILES: COc1ccc(cn1)c1cncc(n1)N(C)C
• InChI: InChI=1S/C12H14N4O/c1-16(2)11-8-13-7-10(15-11)9-4-5-12(17-3)14-6-9/h4-8H,1-3H3
• InChIKey: XPEDPEZBXINPFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(6-methoxypyridin-3-yl)-N,N-dimethylpyrazin-2-amine
• IUPAC Traditional name: 6-(6-methoxypyridin-3-yl)-N,N-dimethylpyrazin-2-amine
• Synonyms: 6-(6-methoxypyridin-3-yl)-N,N-dimethylpyrazin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4924337
• LogD (pH = 7.4): 1.4925898
• Log P: 1.4925919
• Molar Refractivity: 65.8703 cm^3
• Polarizability: 25.93654 Å^3
• Polar Surface Area: 51.14 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: 2.28
• LOG S: -2.83
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3