4-{2,9-diazaspiro[5.5]undecan-2-yl}-6-(morpholin-4-yl)pyrimidin-2-amine

• ChemBase ID: 631529
• Molecular Formular: C17H28N6O
• Molecular Mass: 332.44382
• Monoisotopic Mass: 332.23245955
• SMILES: n1c(cc(nc1N)N1CCOCC1)N1CC2(CCC1)CCNCC2
• Canonical SMILES: Nc1nc(cc(n1)N1CCOCC1)N1CCCC2(C1)CCNCC2
• InChI: InChI=1S/C17H28N6O/c18-16-20-14(22-8-10-24-11-9-22)12-15(21-16)23-7-1-2-17(13-23)3-5-19-6-4-17/h12,19H,1-11,13H2,(H2,18,20,21)
• InChIKey: WJLAFYRGQSZSBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{2,9-diazaspiro[5.5]undecan-2-yl}-6-(morpholin-4-yl)pyrimidin-2-amine
• IUPAC Traditional name: 4-{2,9-diazaspiro[5.5]undecan-2-yl}-6-(morpholin-4-yl)pyrimidin-2-amine
• Synonyms: 4-(2,9-diazaspiro[5.5]undec-2-yl)-6-morpholin-4-ylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.022894
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -2.9471953
• LogD (pH = 7.4): -1.3163981
• Log P: 1.5394934
• Molar Refractivity: 98.1693 cm^3
• Polarizability: 35.93139 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.91
• LOG S: -2.25
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 2