BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

5-Morpholin-4-yl-1H-pyrimidine-2,4-dione

5-Morpholin-4-yl-1H-pyrimidine-2,4-dione bmse011058 - Data bmse012098 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

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Molecular Formula: C8H11N3O3

Natural Isotopic Abundance Mass: 197.1912399999999

Mono-Isotopic Molecular Masses:

  • C12N14: 197.080041227
  • C13N14: 205.10687993100004
  • C12N15: 200.07114590600003
  • C13N15: 208.09798461000005

InChI string: InChI=1S/C8H11N3O3/c12-7-6(5-9-8(13)10-7)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)