Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C4H4N2O2

Natural Isotopic Abundance Mass: 112.0867600000

Mono-Isotopic Molecular Masses:

  • C12N14: 112.027277383
  • C13N14: 116.040696734
  • C12N15: 114.021347169
  • C13N15: 118.0347665206

InChI string: InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

IUPAC: 1H-pyrimidine-2,4-dione

PubChem Compound (CID): 1174
KEGG Compound ID: C00106
CAS Registry number: 144104-68-7 42910-77-0 4433-21-0 4433-24-3 66-22-8 766-19-8
ChEBI: 17568
NSC: 3970
EINECS: 200-621-9
CCRIS: 3077
PDB Compound ID: URA

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,