4-{imidazo[1,2-a]pyrimidine-2-carbonyl}thiomorpholine

• ChemBase ID: 720819
• Molecular Formular: C11H12N4OS
• Molecular Mass: 248.30418
• Monoisotopic Mass: 248.07318202
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CCSCC1
• Canonical SMILES: O=C(c1cn2c(n1)nccc2)N1CCSCC1
• InChI: InChI=1S/C11H12N4OS/c16-10(14-4-6-17-7-5-14)9-8-15-3-1-2-12-11(15)13-9/h1-3,8H,4-7H2
• InChIKey: WFVHKVHZQPHIRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyrimidine-2-carbonyl}thiomorpholine
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyrimidine-2-carbonyl}thiomorpholine
• Synonyms: 2-(thiomorpholin-4-ylcarbonyl)imidazo[1,2-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.14771548
• LogD (pH = 7.4): -0.14770374
• Log P: -0.14770359
• Molar Refractivity: 68.6495 cm^3
• Polarizability: 24.980295 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.63
• LOG S: -1.78
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 1