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

• ChemBase ID: 791953
• Molecular Formular: C20H32N4
• Molecular Mass: 328.49488
• Monoisotopic Mass: 328.26269704
• SMILES: N1(CC2(CN(CC3CCC3)CCC2)CC1)Cc1cnc(nc1)CC
• Canonical SMILES: CCc1ncc(cn1)CN1CCC2(C1)CCCN(C2)CC1CCC1
• InChI: InChI=1S/C20H32N4/c1-2-19-21-11-18(12-22-19)14-24-10-8-20(16-24)7-4-9-23(15-20)13-17-5-3-6-17/h11-12,17H,2-10,13-16H2,1H3
• InChIKey: CZZUOQAUFGREKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.0478113
• LogD (pH = 7.4): -0.13645492
• Log P: 2.883993
• Molar Refractivity: 99.8409 cm^3
• Polarizability: 38.806393 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.0
• LOG S: -1.84
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4