2,5-Dichloro-N-(5-methyl-1H-pyrazol-3-yl)-4-pyrimidinamine

To a solution of 5-methyl-l /-pyrazol-3-amine (4.00 g, 41.2 mmol) in absolute EtOH (100 mL) were added Et3 (12.51 g, 123.6 mmol) and 2, 4, 5-trichloropyrimidine (7.56 g, 41.2 mmol). The reaction was stirred at room temperature for 16 h and concentrated in vacuo. The residue was purified by silica gel column chromatography (PE/EtOAc (v/v) = 1/1) to give the title compound as a pale yellow solid (9.00 g, 89.5percent). MS (ESI, pos. ion) m/z: 244.1 [M+H]5-methyl-1H-pyrazol-3-amine (4.00 g, 41.2 mmol) was dissolved in absolute ethanol (100 mL). Et3N (12.51 g, 123.6 mmol) and 2, 4, 5-trichloropyrimidine (7.56 g, 41.2 mmol) were added thereto. After the addition was completed, the reaction mixture was stirred at room temperature for 16 hours and concentrated under reduced pressure. The resulting residue was purified by silica gel column chromatography (EtOAc / PE (v / v) = 1/1) to give the title compound as a pale yellow solid (9.00 g, 89.5percent).Step 1: Compound 1a (3.64 g, 20 mmol), 3-amino-5-methyl-pyrazole (1.94 g, 20 mmol) and diisopropylethylamine (5.17 g, 40 mmol) were added to 20 mL of ethanol solution and then stirred at room temperature for 2 days. The insoluble substance was collected to obtain Compound 1b (3.7 g, Yield 76percent), MS [M + 1]Compound la (3.64 g. 20 mmol), 3-amino-5-me- thyl-pyrazole (1.94 g, 20 mmol) and diisopropylethylamine (5.17 g, 40 mmol) were added to 20 mE of ethanol solution and then stirred at room temperature for 2 days. The insoluble substance was collected to obtain Compound lb (3.7 g, Yield76percent), MS [M+l] 244.0.

Molecular Weight:244.08
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:243.0078506
Monoisotopic Mass:243.0078506
Topological Polar Surface Area:66.5
Heavy Atom Count:15
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes