2-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 564873
• Molecular Formular: C19H31N5O2
• Molecular Mass: 361.48174
• Monoisotopic Mass: 361.24777526
• SMILES: n1c(N2CC3(C(=O)N(CCC3)CCOC)CC2)c(c(nc1N(C)C)C)C
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)c1nc(nc(c1C)C)N(C)C
• InChI: InChI=1S/C19H31N5O2/c1-14-15(2)20-18(22(3)4)21-16(14)24-10-8-19(13-24)7-6-9-23(17(19)25)11-12-26-5/h6-13H2,1-5H3
• InChIKey: FYXLCIAPXDHJOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Polarizability: 38.743355 Å^3
• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.43319255
• LogD (pH = 7.4): 1.7593546
• Log P: 2.0887918
• Molar Refractivity: 105.1281 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 61.8 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 0
• Log P: 2.35
• LOG S: -3.84