5-{2,8-diazaspiro[4.5]decan-2-ylmethyl}-N,N-dimethylpyrimidin-2-amine

• ChemBase ID: 610418
• Molecular Formular: C15H25N5
• Molecular Mass: 275.3925
• Monoisotopic Mass: 275.21099583
• SMILES: c1(ncc(CN2CC3(CC2)CCNCC3)cn1)N(C)C
• Canonical SMILES: CN(c1ncc(cn1)CN1CCC2(C1)CCNCC2)C
• InChI: InChI=1S/C15H25N5/c1-19(2)14-17-9-13(10-18-14)11-20-8-5-15(12-20)3-6-16-7-4-15/h9-10,16H,3-8,11-12H2,1-2H3
• InChIKey: XXULEIVFTNXKEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2,8-diazaspiro[4.5]decan-2-ylmethyl}-N,N-dimethylpyrimidin-2-amine
• IUPAC Traditional name: 5-{2,8-diazaspiro[4.5]decan-2-ylmethyl}-N,N-dimethylpyrimidin-2-amine
• Synonyms: 5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -5.418966
• LogD (pH = 7.4): -3.2189536
• Log P: 0.786789
• Molar Refractivity: 83.2805 cm^3
• Polarizability: 31.528305 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.0
• LOG S: -1.05
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 3