3-methyl-8-(4-propylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 574325
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1c(ncnc1)CCC)CCC2)C
• Canonical SMILES: CCCc1ncncc1C(=O)N1CCCC2(CC1)CN(C(=O)O2)C
• InChI: InChI=1S/C17H24N4O3/c1-3-5-14-13(10-18-12-19-14)15(22)21-8-4-6-17(7-9-21)11-20(2)16(23)24-17/h10,12H,3-9,11H2,1-2H3
• InChIKey: VZAWETCLZRRTCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-(4-propylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 3-methyl-8-(4-propylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 3-methyl-8-[(4-propyl-5-pyrimidinyl)carbonyl]-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.76678455
• LogD (pH = 7.4): 0.7668004
• Log P: 0.7668006
• Molar Refractivity: 89.3246 cm^3
• Polarizability: 33.89707 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.28
• LOG S: -3.17
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 3