5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine

5-chloro-4-(1-methylpyrazol-4-yl)oxypyrimidine bmse011577 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H7ClN4O

Natural Isotopic Abundance Mass: 210.62037999999993

Mono-Isotopic Molecular Masses:

  • C12N14: 210.030838544
  • C13N14: 218.05767724800003
  • C12N15: 214.01897811600003
  • C13N15: 222.04581682000006

InChI string: InChI=1S/C8H7ClN4O/c1-13-4-6(2-12-13)14-8-7(9)3-10-5-11-8/h2-5H,1H3

wwPDB CCD: K3P

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)