N4-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-N2,N2,6-trimethylpyrimidine-2,4-diamine

• ChemBase ID: 371610
• Molecular Formular: C16H20N6
• Molecular Mass: 296.3702
• Monoisotopic Mass: 296.17494467
• SMILES: c1(nc(cc(n1)C)NCCc1nc2n(c1)cccc2)N(C)C
• Canonical SMILES: Cc1cc(NCCc2nc3n(c2)cccc3)nc(n1)N(C)C
• InChI: InChI=1S/C16H20N6/c1-12-10-14(20-16(18-12)21(2)3)17-8-7-13-11-22-9-5-4-6-15(22)19-13/h4-6,9-11H,7-8H2,1-3H3,(H,17,18,20)
• InChIKey: DAYUVYXABPAMDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N4-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-N2,N2,6-trimethylpyrimidine-2,4-diamine
• IUPAC Traditional name: N4-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-N2,N2,6-trimethylpyrimidine-2,4-diamine
• Synonyms: N~4~-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N~2~,N~2~,6-trimethylpyrimidine-2,4-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7742287
• LogD (pH = 7.4): 1.2685972
• Log P: 1.8644326
• Molar Refractivity: 90.8639 cm^3
• Polarizability: 32.417175 Å^3
• Polar Surface Area: 58.35 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: 2.84
• LOG S: -3.78
• Polar Surface Area: 58.35 Å^2
• Rotatable Bonds: 5