N-methylpyrimidin-2-amine

N-methylpyrimidin-2-amine bmse011193 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C5H7N3

Natural Isotopic Abundance Mass: 109.12918000000002

Mono-Isotopic Molecular Masses:

  • C12N14: 109.063997239
  • C13N14: 114.08077142900001
  • C12N15: 112.05510191800002
  • C13N15: 117.07187610800003

InChI string: InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)

wwPDB CCD: JH4

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)