1-(4-Trifluoromethylpyrimidin-2-yl)piperazine

Gray solid

2-Piperazin-1-yl-4-(trifluoromethyl)pyrimidine A solution of 2-chloro-4- (trifluoromethyl) pyrimidine (Compound G, '400 mg, 2.19 mmol) and piperazine (189 mg, 2.19 mmol) in dimethylsulfoxide [(DMSO, 4 ML)] was placed on a shaker at room temperature, about [25°C, ] for 5 minutes to provide a mixture of the free-base form of Compound H and Compound I. The resulting mixture of Compound H and 5 Compound I was concentrated and separated using flash chromatography as described in to provide 200 mg (39percent yield) of Compound H. A solution of Compound H (200 mg, 0.87 mmol), Compound F (138 mg, 0.95 mmol), HOBt (128 mg, 0.95 mmol) and EDC (182 mg, 0.95 mmol) in 3 [ML DMF] was stirred at room temperature for 4 hours. After this period, DMF was removed under reduced pressure and the resulting residue was dissolved in ethyl acetate and extracted with brine. The organic layer was dried using [NA2SO4 AND] purified using flash chromatography as described in to provide 40 mg of Compound BGS (IIa) as a white solid (5percent overall yield based on Compound G). The structure of Compound BGS [(IIA)] was confirmed [BY LH] NMR and mass spectral (MS) analysis. Compound BGS (IIa) [:APOS;H] NMR [(CDC13)] [No. ] 8.56 (d, J = 4.8 Hz, 1H), 7.62- 7.58 (m, 2H), 7.50-7. 39 (m, 3H), 6.80 (d, J = 4.8 Hz, 1H), 4.05-4. 01 (m, 2H), 3.99-3. 95 (m, 4H), 3.84-3. [80] (m, 2H); MS [(EL)] : m/z 361 [(M+NA+).]

Molecular Weight:232.21
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:232.09358085
Monoisotopic Mass:232.09358085
Topological Polar Surface Area:41
Heavy Atom Count:16
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes