N2,N2,5,6-tetramethyl-N4-[2-(pyrazin-2-yl)ethyl]pyrimidine-2,4-diamine

• ChemBase ID: 391217
• Molecular Formular: C14H20N6
• Molecular Mass: 272.3488
• Monoisotopic Mass: 272.17494467
• SMILES: n1c(nc(c(c1NCCc1nccnc1)C)C)N(C)C
• Canonical SMILES: Cc1nc(nc(c1C)NCCc1cnccn1)N(C)C
• InChI: InChI=1S/C14H20N6/c1-10-11(2)18-14(20(3)4)19-13(10)17-6-5-12-9-15-7-8-16-12/h7-9H,5-6H2,1-4H3,(H,17,18,19)
• InChIKey: GOTDBNRZKVUROL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,5,6-tetramethyl-N4-[2-(pyrazin-2-yl)ethyl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,5,6-tetramethyl-N4-[2-(pyrazin-2-yl)ethyl]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,5,6-tetramethyl-N~4~-[2-(2-pyrazinyl)ethyl]-2,4-pyrimidinediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.5532093
• LogD (pH = 7.4): 0.7586608
• Log P: 1.1562054
• Molar Refractivity: 81.7129 cm^3
• Polarizability: 29.435022 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: 2.0
• LOG S: -2.89
• Polar Surface Area: 66.83 Å^2
• Rotatable Bonds: 5