N2,N2,5,6-tetramethyl-N4-[1-(pyridin-3-yl)propan-2-yl]pyrimidine-2,4-diamine

• ChemBase ID: 746040
• Molecular Formular: C16H23N5
• Molecular Mass: 285.38732
• Monoisotopic Mass: 285.19534576
• SMILES: n1c(nc(c(c1NC(Cc1cnccc1)C)C)C)N(C)C
• Canonical SMILES: CC(Nc1nc(nc(c1C)C)N(C)C)Cc1cccnc1
• InChI: InChI=1S/C16H23N5/c1-11(9-14-7-6-8-17-10-14)18-15-12(2)13(3)19-16(20-15)21(4)5/h6-8,10-11H,9H2,1-5H3,(H,18,19,20)
• InChIKey: IOKNRNOABZCVHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N2,N2,5,6-tetramethyl-N4-[1-(pyridin-3-yl)propan-2-yl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N2,N2,5,6-tetramethyl-N4-[1-(pyridin-3-yl)propan-2-yl]pyrimidine-2,4-diamine
• Synonyms: N~2~,N~2~,5,6-tetramethyl-N~4~-(1-methyl-2-pyridin-3-ylethyl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8081359
• LogD (pH = 7.4): 2.3723035
• Log P: 2.7606294
• Molar Refractivity: 88.8664 cm^3
• Polarizability: 32.166462 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.26
• LOG S: -2.77
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5