5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 623971
• Molecular Formular: C19H26N4O4
• Molecular Mass: 374.43414
• Monoisotopic Mass: 374.19540533
• SMILES: c1(c(=O)[nH]c(=O)n(c1)C)C(=O)N1CC2(C(=O)N(CC3CCC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cn(C)c(=O)[nH]c1=O)CC1CCC1
• InChI: InChI=1S/C19H26N4O4/c1-21-11-14(15(24)20-18(21)27)16(25)23-9-7-19(12-23)6-3-8-22(17(19)26)10-13-4-2-5-13/h11,13H,2-10,12H2,1H3,(H,20,24,27)
• InChIKey: TWSDURVLMBMQIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1-methyl-3H-pyrimidine-2,4-dione
• Synonyms: 5-{[7-(cyclobutylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-1-methylpyrimidine-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.976127
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.22705226
• LogD (pH = 7.4): -0.23815112
• Log P: -0.22690734
• Molar Refractivity: 97.7118 cm^3
• Polarizability: 37.494335 Å^3
• Polar Surface Area: 90.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.56
• LOG S: -2.76
• Polar Surface Area: 95.48 Å^2
• Rotatable Bonds: 3