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

• ChemBase ID: 840681
• Molecular Formular: C12H17ClN4
• Molecular Mass: 252.74318
• Monoisotopic Mass: 252.11417424
• SMILES: c1(N2CC3(CNCC3)CCC2)ncc(cn1)Cl
• Canonical SMILES: Clc1cnc(nc1)N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C12H17ClN4/c13-10-6-15-11(16-7-10)17-5-1-2-12(9-17)3-4-14-8-12/h6-7,14H,1-5,8-9H2
• InChIKey: YFCDUYXQJLQNEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.6343068
• LogD (pH = 7.4): -1.4726255
• Log P: 1.6053444
• Molar Refractivity: 69.3886 cm^3
• Polarizability: 26.37882 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.25
• LOG S: -1.96
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1