8-(2,4-dimethylpyrimidine-5-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 700283
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1c(nc(nc1)C)C)CC2)CCC(C)C
• Canonical SMILES: CC(CCN1CC2(OC1=O)CCN(CC2)C(=O)c1cnc(nc1C)C)C
• InChI: InChI=1S/C19H28N4O3/c1-13(2)5-8-23-12-19(26-18(23)25)6-9-22(10-7-19)17(24)16-11-20-15(4)21-14(16)3/h11,13H,5-10,12H2,1-4H3
• InChIKey: AMOBMYUFGRWRNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,4-dimethylpyrimidine-5-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2,4-dimethylpyrimidine-5-carbonyl)-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(2,4-dimethylpyrimidin-5-yl)carbonyl]-3-(3-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1613826
• LogD (pH = 7.4): 1.1616327
• Log P: 1.1616358
• Molar Refractivity: 98.4987 cm^3
• Polarizability: 37.48879 Å^3
• Polar Surface Area: 75.63 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: 1.35
• LOG S: -2.98
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4