7-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane

• ChemBase ID: 621364
• Molecular Formular: C18H22N4O
• Molecular Mass: 310.39348
• Monoisotopic Mass: 310.17936134
• SMILES: c1(nc(c2c(nc(cc2)C)C)ccn1)N1CCC2(OCC2)CC1
• Canonical SMILES: Cc1nc(C)ccc1c1ccnc(n1)N1CCC2(CC1)CCO2
• InChI: InChI=1S/C18H22N4O/c1-13-3-4-15(14(2)20-13)16-5-9-19-17(21-16)22-10-6-18(7-11-22)8-12-23-18/h3-5,9H,6-8,10-12H2,1-2H3
• InChIKey: YIOHPLFYJHAKGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane
• IUPAC Traditional name: 7-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane
• Synonyms: 7-[4-(2,6-dimethylpyridin-3-yl)pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1997308
• LogD (pH = 7.4): 1.6767049
• Log P: 1.6880985
• Molar Refractivity: 90.1487 cm^3
• Polarizability: 35.391296 Å^3
• Polar Surface Area: 51.14 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: 2.66
• LOG S: -3.73
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 2