2,6-DICHLORO-N-METHYL-4-PYRIMIDINAMINE

Intermediate 2; 2, 6-dichloro-λ/-methyl-4-pyrimidinamine ( Intermediate 3 4, 6-dichloro-λ/-methyl-2-pyrimidinamine; To a OA solution of methylamine (57 ml of a 2M solution in THF) was added dropwise to a stirred solution of trichlo50 ropyrimidine (124a; 10.00 g) in anhydrous THF (80 ml) at—20 C, under an atmosphere of nitrogen and the reaction was maintained at this temperature for 0.5 h. The volatiles were removed under reduced pressure and the residue partitionedbetween methylene chloride and 10percent aq. NaOH. Theorganic phase was separated, washed with water, dried(MgSO4), and concentrated under reduced pressure. The residue was purified by silica gel colunm chromatography using EtOAc; hexanes (1:20) as eluent to give the desiredproduct (312i; 4.05 g) as a white solid. The relatively morepolar isomer (312j) was set aside at this time.

Molecular Weight:178.02
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:176.9860526
Monoisotopic Mass:176.9860526
Topological Polar Surface Area:37.8
Heavy Atom Count:10
Complexity:111
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes