N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrazin-2-amine

• ChemBase ID: 703651
• Molecular Formular: C12H15N5
• Molecular Mass: 229.281
• Monoisotopic Mass: 229.13274551
• SMILES: c1(nc(cc(n1)C)C)CCNc1nccnc1
• Canonical SMILES: Cc1cc(C)nc(n1)CCNc1cnccn1
• InChI: InChI=1S/C12H15N5/c1-9-7-10(2)17-11(16-9)3-4-14-12-8-13-5-6-15-12/h5-8H,3-4H2,1-2H3,(H,14,15)
• InChIKey: GKLLCWWPACEBBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrazin-2-amine
• IUPAC Traditional name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrazin-2-amine
• Synonyms: N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-pyrazinamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.753916
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5347948
• LogD (pH = 7.4): 0.5464849
• Log P: 0.546636
• Molar Refractivity: 66.9215 cm^3
• Polarizability: 24.615376 Å^3
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -1.85
• Polar Surface Area: 63.59 Å^2
• Rotatable Bonds: 4