N4-ethyl-N2-methyl-N2-[2-(pyridin-2-yl)ethyl]pyrimidine-2,4-diamine

• ChemBase ID: 767493
• Molecular Formular: C14H19N5
• Molecular Mass: 257.33416
• Monoisotopic Mass: 257.16404563
• SMILES: n1c(nccc1NCC)N(CCc1ncccc1)C
• Canonical SMILES: CCNc1ccnc(n1)N(CCc1ccccn1)C
• InChI: InChI=1S/C14H19N5/c1-3-15-13-7-10-17-14(18-13)19(2)11-8-12-6-4-5-9-16-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,15,17,18)
• InChIKey: KWPFHTIREDCOKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-ethyl-N2-methyl-N2-[2-(pyridin-2-yl)ethyl]pyrimidine-2,4-diamine
• IUPAC Traditional name: N4-ethyl-N2-methyl-N2-[2-(pyridin-2-yl)ethyl]pyrimidine-2,4-diamine
• Synonyms: N~4~-ethyl-N~2~-methyl-N~2~-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6085604
• LogD (pH = 7.4): 1.9198549
• Log P: 2.0858943
• Molar Refractivity: 78.9857 cm^3
• Polarizability: 28.638174 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.53
• LOG S: -1.94
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 6