1-methyl-N-(3-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine

1-methyl-N-(3-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine bmse011289 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C13H13N5

Natural Isotopic Abundance Mass: 239.27581999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 239.117095441
  • C13N14: 252.16070833500007
  • C12N15: 244.10226990600003
  • C13N15: 257.14588280000015

InChI string: InChI=1S/C13H13N5/c1-9-4-3-5-10(6-9)17-12-11-7-16-18(2)13(11)15-8-14-12/h3-8H,1-2H3,(H,14,15,17)

IUPAC: 1-methyl-N-(3-methylphenyl)pyrazolo[4,5-e]pyrimidin-4-amine

wwPDB CCD: JJM

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)