7-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 841428
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c12nc(cn1cccn2)CN1C(=O)CCC2(C1)COCC2
• Canonical SMILES: O=C1CCC2(CN1Cc1cn3c(n1)nccc3)COCC2
• InChI: InChI=1S/C15H18N4O2/c20-13-2-3-15(4-7-21-11-15)10-19(13)9-12-8-18-6-1-5-16-14(18)17-12/h1,5-6,8H,2-4,7,9-11H2
• InChIKey: YEZWASSKOOOEMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-{imidazo[1,2-a]pyrimidin-2-ylmethyl}-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.640737
• LogD (pH = 7.4): -0.639589
• Log P: -0.63957435
• Molar Refractivity: 78.2416 cm^3
• Polarizability: 29.451042 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.34
• LOG S: -2.0
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 2