2-methyl-8-[6-(morpholin-4-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane

• ChemBase ID: 855659
• Molecular Formular: C17H27N5O
• Molecular Mass: 317.42918
• Monoisotopic Mass: 317.22156051
• SMILES: c1(cc(N2CCOCC2)ncn1)N1CCC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)c1ncnc(c1)N1CCOCC1
• InChI: InChI=1S/C17H27N5O/c1-20-5-2-17(13-20)3-6-21(7-4-17)15-12-16(19-14-18-15)22-8-10-23-11-9-22/h12,14H,2-11,13H2,1H3
• InChIKey: UQFCWHFARUTUBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-[6-(morpholin-4-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-methyl-8-[6-(morpholin-4-yl)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane
• Synonyms: 2-methyl-8-(6-morpholin-4-ylpyrimidin-4-yl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -3.0064914
• LogD (pH = 7.4): -0.6957687
• Log P: 1.6281127
• Molar Refractivity: 94.2166 cm^3
• Polarizability: 34.784527 Å^3
• Polar Surface Area: 44.73 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: 1.81
• LOG S: -2.05
• Polar Surface Area: 44.73 Å^2
• Rotatable Bonds: 2