N4,N4,5-trimethyl-N2-[1-(pyrazin-2-yl)propan-2-yl]pyrimidine-2,4-diamine

• ChemBase ID: 376728
• Molecular Formular: C14H20N6
• Molecular Mass: 272.3488
• Monoisotopic Mass: 272.17494467
• SMILES: n1c(c(cnc1NC(Cc1nccnc1)C)C)N(C)C
• Canonical SMILES: CC(Cc1cnccn1)Nc1ncc(c(n1)N(C)C)C
• InChI: InChI=1S/C14H20N6/c1-10-8-17-14(19-13(10)20(3)4)18-11(2)7-12-9-15-5-6-16-12/h5-6,8-9,11H,7H2,1-4H3,(H,17,18,19)
• InChIKey: KLSSNKNWCWQOQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4,N4,5-trimethyl-N2-[1-(pyrazin-2-yl)propan-2-yl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N4,N4,5-trimethyl-N2-[1-(pyrazin-2-yl)propan-2-yl]pyrimidine-2,4-diamine
• Synonyms: N~4~,N~4~,5-trimethyl-N~2~-(1-methyl-2-pyrazin-2-ylethyl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.978139
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.27969912
• LogD (pH = 7.4): 1.3216498
• Log P: 1.4414103
• Molar Refractivity: 81.5402 cm^3
• Polarizability: 29.51206 Å^3
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.86
• LOG S: -2.77
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5