Solubility - preferred solvent:
DMSO
Solubility - concentration:
10 mM
NMR:
1H NMR (400 MHz, DMSO-d6,) δ = 9.06 (d, J = 2.8 Hz, 1H, pyridine), 9.04 (s, 1H, pyrimidine), 7.38 (d, J = 2.8 Hz, 1H, pyridine), 7.14 (d, J = 8.3 Hz, 1H, phenyl), 6.67 (br, 1H, phenyl), 6.50 (br d, J = 8.4 Hz, 1H, phenyl), 5.61 (br s, 2H, −NH2), 4.34–4.25 (m, 1H, piperidine), 3.55–3.50 (m, 4H, piperazine), 3.22–3.05 (very br, 2H, NCH2 piperidine), 2.49–2.47 (m, 4H, piperazine, partially overlap with DMSO), 2.24 (s, 3H, −CH3), 1.94–1.86 (br m, 4H, piperidine), 2 protons of piperidine-NCH2, expected to be around 4.1 ppm not visible.
13C NMR (151 MHz, DMSO-d6) δ = 171.84, 167.43, 155.47, 149.63, 149.39, 147.69, 147.25, 144.02, 130.57, 129.46, 120.10 (q, J = 256 Hz, 1C), 118.72, 112.01, 107.10, 106.49, 54.09, 46.49, 45.75, 36.80, 30.5 (br), 3 piperidine carbon resonances not visible (2× −NCH2, might overlap with piperazine at 46 ppm, and −CH2, note of broad signal at 30 ppm).
19F NMR (565 MHz, DMSO-d6) δ = −56.70 (s, 3F).
