N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-methyl-N-(propan-2-yl)imidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 524360
• Molecular Formular: C20H22N4O3
• Molecular Mass: 366.41368
• Monoisotopic Mass: 366.16919058
• SMILES: c1(C(=O)N(CC2Oc3c(OC2)cccc3)C(C)C)n2c(nc1C)nccc2
• Canonical SMILES: CC(N(C(=O)c1c(C)nc2n1cccn2)CC1COc2c(O1)cccc2)C
• InChI: InChI=1S/C20H22N4O3/c1-13(2)24(11-15-12-26-16-7-4-5-8-17(16)27-15)19(25)18-14(3)22-20-21-9-6-10-23(18)20/h4-10,13,15H,11-12H2,1-3H3
• InChIKey: PGZVNNUDUAQMGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-methyl-N-(propan-2-yl)imidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-isopropyl-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-isopropyl-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3045869
• LogD (pH = 7.4): 1.3046612
• Log P: 1.3046621
• Molar Refractivity: 102.0144 cm^3
• Polarizability: 38.301254 Å^3
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.17
• LOG S: -3.72
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 4