5,6-dimethyl-N-[1-(pyrazin-2-yl)piperidin-3-yl]pyrimidin-4-amine

• ChemBase ID: 771607
• Molecular Formular: C15H20N6
• Molecular Mass: 284.3595
• Monoisotopic Mass: 284.17494467
• SMILES: c1(c(c(ncn1)C)C)NC1CN(c2nccnc2)CCC1
• Canonical SMILES: Cc1c(ncnc1C)NC1CCCN(C1)c1nccnc1
• InChI: InChI=1S/C15H20N6/c1-11-12(2)18-10-19-15(11)20-13-4-3-7-21(9-13)14-8-16-5-6-17-14/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,18,19,20)
• InChIKey: HILNUEIYABPBJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-N-[1-(pyrazin-2-yl)piperidin-3-yl]pyrimidin-4-amine
• IUPAC Traditional name: 5,6-dimethyl-N-[1-(pyrazin-2-yl)piperidin-3-yl]pyrimidin-4-amine
• Synonyms: 5,6-dimethyl-N-(1-pyrazin-2-ylpiperidin-3-yl)pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.263407
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.770292
• LogD (pH = 7.4): 1.283166
• Log P: 1.2962046
• Molar Refractivity: 84.5908 cm^3
• Polarizability: 30.627068 Å^3
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.88
• LOG S: -3.06
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 3