2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide

• ChemBase ID: 550178
• Molecular Formular: C17H24N6O3
• Molecular Mass: 360.41086
• Monoisotopic Mass: 360.19098866
• SMILES: N1(C(=O)NC(C1=O)(C)C)CC(=O)NC1c2c(nc(nc2)N(C)C)CCC1
• Canonical SMILES: O=C(NC1CCCc2c1cnc(n2)N(C)C)CN1C(=O)NC(C1=O)(C)C
• InChI: InChI=1S/C17H24N6O3/c1-17(2)14(25)23(16(26)21-17)9-13(24)19-11-6-5-7-12-10(11)8-18-15(20-12)22(3)4/h8,11H,5-7,9H2,1-4H3,(H,19,24)(H,21,26)
• InChIKey: AYXYACKADDLZJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• IUPAC Traditional name: 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
• Synonyms: N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.101426
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.11303095
• LogD (pH = 7.4): 0.120027564
• Log P: 0.120203994
• Molar Refractivity: 95.363 cm^3
• Polarizability: 35.80306 Å^3
• Polar Surface Area: 107.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.14
• LOG S: -2.8
• Polar Surface Area: 107.53 Å^2
• Rotatable Bonds: 4