methyl[2-(oxan-2-yl)ethyl]({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)amine

• ChemBase ID: 738225
• Molecular Formular: C21H26N4O
• Molecular Mass: 350.45734
• Monoisotopic Mass: 350.21066147
• SMILES: c1(n2c(nc1c1ccccc1)nccc2)CN(CCC1OCCCC1)C
• Canonical SMILES: CN(Cc1c(nc2n1cccn2)c1ccccc1)CCC1CCCCO1
• InChI: InChI=1S/C21H26N4O/c1-24(14-11-18-10-5-6-15-26-18)16-19-20(17-8-3-2-4-9-17)23-21-22-12-7-13-25(19)21/h2-4,7-9,12-13,18H,5-6,10-11,14-16H2,1H3
• InChIKey: RXGHGUPIAIIAAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(oxan-2-yl)ethyl]({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)amine
• IUPAC Traditional name: methyl[2-(oxan-2-yl)ethyl]({2-phenylimidazo[1,2-a]pyrimidin-3-yl}methyl)amine
• Synonyms: N-methyl-N-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]-2-(tetrahydro-2H-pyran-2-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6553197
• LogD (pH = 7.4): 0.8471694
• Log P: 2.6248858
• Molar Refractivity: 105.6951 cm^3
• Polarizability: 41.45855 Å^3
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.91
• LOG S: -3.23
• Polar Surface Area: 42.66 Å^2
• Rotatable Bonds: 6