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

• ChemBase ID: 393418
• Molecular Formular: C20H32N4O
• Molecular Mass: 344.49428
• Monoisotopic Mass: 344.25761166
• SMILES: N1(CC2(CN(CC3CC3)CCC2)CC1)Cc1cnc(nc1)CCOC
• Canonical SMILES: COCCc1ncc(cn1)CN1CCC2(C1)CCCN(C2)CC1CC1
• InChI: InChI=1S/C20H32N4O/c1-25-10-5-19-21-11-18(12-22-19)14-24-9-7-20(16-24)6-2-8-23(15-20)13-17-3-4-17/h11-12,17H,2-10,13-16H2,1H3
• InChIKey: YMUXLZJXHPWBAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.18
• LOG S: -1.08
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0

JChem

• Molar Refractivity: 101.7658 cm^3
• Polarizability: 39.483505 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.1137931
• LogD (pH = 7.4): -1.0666673
• Log P: 1.7759944