N-cyclobutyl-2-{4-[2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetyl]morpholin-3-yl}acetamide

• ChemBase ID: 336663
• Molecular Formular: C17H24N4O5
• Molecular Mass: 364.39626
• Monoisotopic Mass: 364.17466989
• SMILES: [nH]1c(=O)n(cc(c1=O)C)CC(=O)N1C(CC(=O)NC2CCC2)COCC1
• Canonical SMILES: O=C(CC1COCCN1C(=O)Cn1cc(C)c(=O)[nH]c1=O)NC1CCC1
• InChI: InChI=1S/C17H24N4O5/c1-11-8-20(17(25)19-16(11)24)9-15(23)21-5-6-26-10-13(21)7-14(22)18-12-3-2-4-12/h8,12-13H,2-7,9-10H2,1H3,(H,18,22)(H,19,24,25)
• InChIKey: UGZDZWMLDDHIKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-2-{4-[2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetyl]morpholin-3-yl}acetamide
• IUPAC Traditional name: N-cyclobutyl-2-{4-[2-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)acetyl]morpholin-3-yl}acetamide
• Synonyms: N-cyclobutyl-2-{4-[(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl]-3-morpholinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.001403
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.234556
• LogD (pH = 7.4): -1.235616
• Log P: -1.2345423
• Molar Refractivity: 90.9831 cm^3
• Polarizability: 35.291595 Å^3
• Polar Surface Area: 108.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.98
• LOG S: -2.33
• Polar Surface Area: 113.5 Å^2
• Rotatable Bonds: 5