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N-PHENYL-3'-TRIFLUOROMETHYL-5,6-DIMETHYL-7H-PYRROLO-[2,3-D]-PYRIMIDINE-4-AMINE
SpectraBase Compound ID I29gNLTpsAp
InChI InChI=1S/C15H13F3N4/c1-8-9(2)21-13-12(8)14(20-7-19-13)22-11-5-3-4-10(6-11)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22)
InChIKey DIOHUOGBSVXUTJ-UHFFFAOYSA-N
Mol Weight 306.29 g/mol
Molecular Formula C15H13F3N4
Exact Mass 306.109231 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pX8jJni6hU
Name (5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-[3-(trifluoromethyl)phenyl]amine
CAS Registry Number 100633-91-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F3N4
InChI InChI=1S/C15H13F3N4/c1-8-9(2)21-13-12(8)14(20-7-19-13)22-11-5-3-4-10(6-11)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22)
InChIKey DIOHUOGBSVXUTJ-UHFFFAOYSA-N
Molecular Weight 306.292 g/mol
SMILES N1C=NC(=C2C1=NC(=C2C)C)Nc1cc(C(F)(F)F)ccc1
SPLASH splash10-0a4i-0009000000-a3607d357ba4b6171be3
Source of Spectrum Y-22-862-7
Synonyms 5,6-dimethyl-N-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Wiley ID 1307830