8-(4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 741738
• Molecular Formular: C14H20N4O4
• Molecular Mass: 308.333
• Monoisotopic Mass: 308.14845514
• SMILES: C1(=C(NC(=O)NC1C)C)C(=O)N1CCC2(OC(=O)NC2)CC1
• Canonical SMILES: O=C1NC(C)C(=C(N1)C)C(=O)N1CCC2(CC1)CNC(=O)O2
• InChI: InChI=1S/C14H20N4O4/c1-8-10(9(2)17-12(20)16-8)11(19)18-5-3-14(4-6-18)7-15-13(21)22-14/h8H,3-7H2,1-2H3,(H,15,21)(H2,16,17,20)
• InChIKey: ZOENFWQHMDRPGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.584023
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.8214307
• LogD (pH = 7.4): -1.8214319
• Log P: -1.8214294
• Molar Refractivity: 78.0376 cm^3
• Polarizability: 29.680328 Å^3
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.26
• LOG S: -2.98
• Polar Surface Area: 99.77 Å^2
• Rotatable Bonds: 1