N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 602679
• Molecular Formular: C18H23N7O
• Molecular Mass: 353.42152
• Monoisotopic Mass: 353.19640839
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCCNc1nc(nc(c1)C)CCCC
• Canonical SMILES: CCCCc1nc(NCCNC(=O)c2cn3c(n2)nccc3)cc(n1)C
• InChI: InChI=1S/C18H23N7O/c1-3-4-6-15-22-13(2)11-16(24-15)19-8-9-20-17(26)14-12-25-10-5-7-21-18(25)23-14/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,20,26)(H,19,22,24)
• InChIKey: MMWIZWQFBHRDNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-{2-[(2-butyl-6-methylpyrimidin-4-yl)amino]ethyl}imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.436988
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.30383664
• LogD (pH = 7.4): 1.5789078
• Log P: 1.6995158
• Molar Refractivity: 102.6981 cm^3
• Polarizability: 36.94813 Å^3
• Polar Surface Area: 97.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.13
• LOG S: -3.6
• Polar Surface Area: 97.1 Å^2
• Rotatable Bonds: 8