7-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 846869
• Molecular Formular: C15H17N5O3
• Molecular Mass: 315.32718
• Monoisotopic Mass: 315.13313943
• SMILES: c1(nc2n(c1)cccn2)C(=O)N1CC2(OC(=O)N(C2)C)CCC1
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)C(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C15H17N5O3/c1-18-9-15(23-14(18)22)4-2-6-20(10-15)12(21)11-8-19-7-3-5-16-13(19)17-11/h3,5,7-8H,2,4,6,9-10H2,1H3
• InChIKey: UJVMQBKNUSDVQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-{imidazo[1,2-a]pyrimidine-2-carbonyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-(imidazo[1,2-a]pyrimidin-2-ylcarbonyl)-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.42623594
• LogD (pH = 7.4): -0.4262242
• Log P: -0.42622405
• Molar Refractivity: 82.3351 cm^3
• Polarizability: 30.532911 Å^3
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.88
• LOG S: -2.06
• Polar Surface Area: 80.04 Å^2
• Rotatable Bonds: 1