2-methyl-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 754865
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N(Cc1cc(ccc1)C)CC1OCCC1
• Canonical SMILES: Cc1cccc(c1)CN(C(=O)c1c(C)nc2n1cccn2)CC1CCCO1
• InChI: InChI=1S/C21H24N4O2/c1-15-6-3-7-17(12-15)13-24(14-18-8-4-11-27-18)20(26)19-16(2)23-21-22-9-5-10-25(19)21/h3,5-7,9-10,12,18H,4,8,11,13-14H2,1-2H3
• InChIKey: ZIINTMSWTXHDST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 2-methyl-N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: 2-methyl-N-(3-methylbenzyl)-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8130672
• LogD (pH = 7.4): 1.8131412
• Log P: 1.8131422
• Molar Refractivity: 106.0389 cm^3
• Polarizability: 39.383728 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.07
• LOG S: -3.62
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 5