7-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}-2-methyl-2,7-diazaspiro[4.5]decane

• ChemBase ID: 552668
• Molecular Formular: C16H26N4O
• Molecular Mass: 290.40384
• Monoisotopic Mass: 290.21066147
• SMILES: N1(CC2(CN(CC2)C)CCC1)Cc1cnc(nc1)COC
• Canonical SMILES: COCc1ncc(cn1)CN1CCCC2(C1)CCN(C2)C
• InChI: InChI=1S/C16H26N4O/c1-19-7-5-16(12-19)4-3-6-20(13-16)10-14-8-17-15(11-21-2)18-9-14/h8-9H,3-7,10-13H2,1-2H3
• InChIKey: GTMXWJLJFUZHOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}-2-methyl-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}-2-methyl-2,7-diazaspiro[4.5]decane
• Synonyms: 7-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}-2-methyl-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.7867706
• LogD (pH = 7.4): -1.4242176
• Log P: 0.8317547
• Molar Refractivity: 85.1244 cm^3
• Polarizability: 32.917812 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.08
• LOG S: -0.38
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 4