N-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 775873
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCCNC(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C17H18N4O2/c1-23-14-7-5-13(6-8-14)4-2-9-18-16(22)15-12-21-11-3-10-19-17(21)20-15/h3,5-8,10-12H,2,4,9H2,1H3,(H,18,22)
• InChIKey: MPCSPZUNEQMJFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[3-(4-methoxyphenyl)propyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.454548
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5674813
• LogD (pH = 7.4): 1.5674931
• Log P: 1.5674933
• Molar Refractivity: 88.8245 cm^3
• Polarizability: 32.88995 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.0
• LOG S: -3.17
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6