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4-(Quinolin-3-yl)-N-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(Quinolin-3-yl)-N-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine
SpectraBase Compound ID Ll3c56kMPyV
InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-5-7-16(8-6-15)26-19-24-10-9-18(27-19)14-11-13-3-1-2-4-17(13)25-12-14/h1-12H,(H,24,26,27)
InChIKey AYQXXWRYLGZZSD-UHFFFAOYSA-N
Mol Weight 366.35 g/mol
Molecular Formula C20H13F3N4
Exact Mass 366.109231 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9J9J1WTquf
Name 4-(Quinolin-3-yl)-N-(4-(trifluoromethyl)phenyl)pyrimidin-2-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.109230924 u
Formula C20H13F3N4
InChI InChI=1S/C20H13F3N4/c21-20(22,23)15-5-7-16(8-6-15)26-19-24-10-9-18(27-19)14-11-13-3-1-2-4-17(13)25-12-14/h1-12H,(H,24,26,27)
InChIKey AYQXXWRYLGZZSD-UHFFFAOYSA-N
Molecular Weight 366.347 g/mol
SMILES C=1(N=C(C2=CC3=CC=CC=C3N=C2)C=CN1)NC=1C=CC(C(F)(F)F)=CC1