N-cycloheptylpyrimidin-2-amine

N-cycloheptylpyrimidin-2-amine bmse011211 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C11H17N3

Natural Isotopic Abundance Mass: 191.27277999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 191.142247559
  • C13N14: 202.17915077700005
  • C12N15: 194.13335223800001
  • C13N15: 205.17025545600006

InChI string: InChI=1S/C11H17N3/c1-2-4-7-10(6-3-1)14-11-12-8-5-9-13-11/h5,8-10H,1-4,6-7H2,(H,12,13,14)

IUPAC: N-cycloheptylpyrimidin-2-amine

wwPDB CCD: LD4

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)