2-methyl-N-[2-(morpholin-4-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 687222
• Molecular Formular: C14H19N5O2
• Molecular Mass: 289.33296
• Monoisotopic Mass: 289.15387487
• SMILES: c1(n2c(nc1C)nccc2)C(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(c1c(C)nc2n1cccn2)NCCN1CCOCC1
• InChI: InChI=1S/C14H19N5O2/c1-11-12(19-5-2-3-16-14(19)17-11)13(20)15-4-6-18-7-9-21-10-8-18/h2-3,5H,4,6-10H2,1H3,(H,15,20)
• InChIKey: MITWPTMTUBHEMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-N-[2-(morpholin-4-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 2-methyl-N-[2-(morpholin-4-yl)ethyl]imidazo[1,2-a]pyrimidine-3-carboxamide
• Synonyms: 2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 5
• H Donor: 1
• Log P: -0.85
• LOG S: -1.89
• Polar Surface Area: 71.76 Å^2

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 15.791595
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8621482
• LogD (pH = 7.4): -1.2826593
• Log P: -1.2668734
• Molar Refractivity: 80.3273 cm^3
• Polarizability: 29.591614 Å^3
• Polar Surface Area: 71.76 Å^2
• Rotatable Bonds: 4