5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

5-chloro-2-propan-2-ylpyrimidine-4-carboxamide bmse011255 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C8H10ClN3O

Natural Isotopic Abundance Mass: 199.6374999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 199.051239635
  • C13N14: 207.07807833900003
  • C12N15: 202.04234431400002
  • C13N15: 210.06918301800005

InChI string: InChI=1S/C8H10ClN3O/c1-4(2)8-11-3-5(9)6(12-8)7(10)13/h3-4H,1-2H3,(H2,10,13)

wwPDB CCD: K2G

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)