2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-[2-(pyridin-3-yloxy)propyl]acetamide

• ChemBase ID: 520347
• Molecular Formular: C15H18N4O4
• Molecular Mass: 318.32782
• Monoisotopic Mass: 318.13280508
• SMILES: [nH]1c(=O)n(cc(c1=O)C)CC(=O)NCC(Oc1cnccc1)C
• Canonical SMILES: O=C(Cn1cc(C)c(=O)[nH]c1=O)NCC(Oc1cccnc1)C
• InChI: InChI=1S/C15H18N4O4/c1-10-8-19(15(22)18-14(10)21)9-13(20)17-6-11(2)23-12-4-3-5-16-7-12/h3-5,7-8,11H,6,9H2,1-2H3,(H,17,20)(H,18,21,22)
• InChIKey: NXMYUFUWAINFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-N-[2-(pyridin-3-yloxy)propyl]acetamide
• IUPAC Traditional name: 2-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-N-[2-(pyridin-3-yloxy)propyl]acetamide
• Synonyms: 2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-[2-(pyridin-3-yloxy)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.001414
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.56623083
• LogD (pH = 7.4): -0.5004103
• Log P: -0.49839547
• Molar Refractivity: 80.8407 cm^3
• Polarizability: 31.267632 Å^3
• Polar Surface Area: 100.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.36
• LOG S: -2.52
• Polar Surface Area: 106.08 Å^2
• Rotatable Bonds: 6