2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 703033
• Molecular Formular: C14H22N4
• Molecular Mass: 246.35128
• Monoisotopic Mass: 246.18444672
• SMILES: c1(N2CC3(CC2)CNCCC3)ncc(cn1)CC
• Canonical SMILES: CCc1cnc(nc1)N1CCC2(C1)CCCNC2
• InChI: InChI=1S/C14H22N4/c1-2-12-8-16-13(17-9-12)18-7-5-14(11-18)4-3-6-15-10-14/h8-9,15H,2-7,10-11H2,1H3
• InChIKey: DBJXQANRNCPFNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(5-ethylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2642857
• LogD (pH = 7.4): -0.61152256
• Log P: 1.9592898
• Molar Refractivity: 74.226 cm^3
• Polarizability: 28.084787 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.59
• LOG S: -2.2
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 2