9-(6-cyclopropylpyrimidin-4-yl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 760573
• Molecular Formular: C17H25N3O2
• Molecular Mass: 303.3993
• Monoisotopic Mass: 303.19467706
• SMILES: c1(cc(C2CC2)ncn1)N1CCC2(CC1)OCCCC2OC
• Canonical SMILES: COC1CCCOC21CCN(CC2)c1ncnc(c1)C1CC1
• InChI: InChI=1S/C17H25N3O2/c1-21-15-3-2-10-22-17(15)6-8-20(9-7-17)16-11-14(13-4-5-13)18-12-19-16/h11-13,15H,2-10H2,1H3
• InChIKey: QCGODOVVCNYRIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(6-cyclopropylpyrimidin-4-yl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-(6-cyclopropylpyrimidin-4-yl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-(6-cyclopropylpyrimidin-4-yl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6467327
• LogD (pH = 7.4): 1.9609525
• Log P: 1.9669471
• Molar Refractivity: 86.0749 cm^3
• Polarizability: 32.74169 Å^3
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.81
• LOG S: -2.96
• Polar Surface Area: 47.48 Å^2
• Rotatable Bonds: 3