N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine

• ChemBase ID: 529317
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: n1c(c(c(nc1C)C)C)NCCCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCCNc1nc(C)nc(c1C)C
• InChI: InChI=1S/C15H23N5/c1-5-14-16-8-10-20(14)9-6-7-17-15-11(2)12(3)18-13(4)19-15/h8,10H,5-7,9H2,1-4H3,(H,17,18,19)
• InChIKey: GDBCFBPILLFRMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine
• IUPAC Traditional name: N-[3-(2-ethylimidazol-1-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine
• Synonyms: N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-2,5,6-trimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.21160428
• LogD (pH = 7.4): 1.9214349
• Log P: 2.242662
• Molar Refractivity: 83.3602 cm^3
• Polarizability: 30.42418 Å^3
• Polar Surface Area: 55.63 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: 2.26
• LOG S: -3.76
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6