1,3-dimethyl-6-{3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 410169
• Molecular Formular: C15H20N4O5
• Molecular Mass: 336.3431
• Monoisotopic Mass: 336.14336976
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N1CCC2(OC(=O)N(C2)C)CC1
• Canonical SMILES: CN1CC2(OC1=O)CCN(CC2)C(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C15H20N4O5/c1-16-9-15(24-14(16)23)4-6-19(7-5-15)12(21)10-8-11(20)18(3)13(22)17(10)2/h8H,4-7,9H2,1-3H3
• InChIKey: JPQTVJKRBOLORW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-6-{3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 1,3-dimethyl-6-{3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl}pyrimidine-2,4-dione
• Synonyms: 1,3-dimethyl-6-[(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl)carbonyl]-2,4(1H,3H)-pyrimidinedione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5146679
• LogD (pH = 7.4): -1.5146675
• Log P: -1.5146675
• Molar Refractivity: 83.9501 cm^3
• Polarizability: 31.648333 Å^3
• Polar Surface Area: 90.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.26
• LOG S: -2.74
• Polar Surface Area: 93.85 Å^2
• Rotatable Bonds: 1