9-(6-amino-2-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

• ChemBase ID: 353968
• Molecular Formular: C14H22N4O2
• Molecular Mass: 278.35008
• Monoisotopic Mass: 278.17427596
• SMILES: c1(nc(nc(c1)N)C)N1CCC2(CC1)OCCCC2O
• Canonical SMILES: Nc1cc(nc(n1)C)N1CCC2(CC1)OCCCC2O
• InChI: InChI=1S/C14H22N4O2/c1-10-16-12(15)9-13(17-10)18-6-4-14(5-7-18)11(19)3-2-8-20-14/h9,11,19H,2-8H2,1H3,(H2,15,16,17)
• InChIKey: SVCJHWDJZUYJQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(6-amino-2-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
• IUPAC Traditional name: 9-(6-amino-2-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
• Synonyms: 9-(6-amino-2-methylpyrimidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.986244
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.5461878
• LogD (pH = 7.4): -0.25102878
• Log P: 0.6923895
• Molar Refractivity: 78.9713 cm^3
• Polarizability: 29.033384 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.33
• LOG S: -1.51
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 1