N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 561660
• Molecular Formular: C13H17N5O3S
• Molecular Mass: 323.37078
• Monoisotopic Mass: 323.10521043
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCCS(=O)(=O)N1CCCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)NCCS(=O)(=O)N1CCCC1
• InChI: InChI=1S/C13H17N5O3S/c19-12(11-10-17-6-3-4-15-13(17)16-11)14-5-9-22(20,21)18-7-1-2-8-18/h3-4,6,10H,1-2,5,7-9H2,(H,14,19)
• InChIKey: HCKPANJSUMUAFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(pyrrolidine-1-sulfonyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(pyrrolidin-1-ylsulfonyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.436581
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.4339861
• LogD (pH = 7.4): -1.4339743
• Log P: -1.433974
• Molar Refractivity: 81.9488 cm^3
• Polarizability: 31.005579 Å^3
• Polar Surface Area: 96.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.18
• LOG S: -2.71
• Polar Surface Area: 96.67 Å^2
• Rotatable Bonds: 4