N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 349833
• Molecular Formular: C18H27N7O
• Molecular Mass: 357.45328
• Monoisotopic Mass: 357.22770852
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCCNc1nc(nc(c1)C)CCCC
• Canonical SMILES: CCCCc1nc(NCCNC(=O)c2cn3c(n2)CNCC3)cc(n1)C
• InChI: InChI=1S/C18H27N7O/c1-3-4-5-15-22-13(2)10-16(24-15)20-6-7-21-18(26)14-12-25-9-8-19-11-17(25)23-14/h10,12,19H,3-9,11H2,1-2H3,(H,21,26)(H,20,22,24)
• InChIKey: QJWHNKPWHCUWAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{2-[(2-butyl-6-methyl-4-pyrimidinyl)amino]ethyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.301643
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -1.2713544
• LogD (pH = 7.4): 1.0380589
• Log P: 1.2195327
• Molar Refractivity: 102.424 cm^3
• Polarizability: 37.918793 Å^3
• Polar Surface Area: 96.76 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.25
• LOG S: -2.87
• Polar Surface Area: 96.76 Å^2
• Rotatable Bonds: 8