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Home > Encyclopedia > 5-Pyrimidinamine,4,6-dimethyl-(9CI)

5-Pyrimidinamine,4,6-dimethyl-(9CI)

5-Pyrimidinamine,4,6-dimethyl-(9CI) structure

5-Pyrimidinamine,4,6-dimethyl-(9CI) 

structure
  • CAS No:

    90856-77-2

  • Formula:

    C6H9N3

  • Chemical Name:

    5-Pyrimidinamine,4,6-dimethyl-(9CI)

  • Synonyms:

    4,6-Dimethylpyrimidin-5-amine;4,6-dimethyl-5-pyrimidinamine;5-Amino-4,6-dimethylpyrimidine;5-pyrimidinamine, 4,6-dimethyl- (9ci);5-Pyrimidinamine, 4,6-dimethyl-;PubChem9315;MEPERIDINEHYDROCHLORIDE;SCHEMBL10749916;CTK8B5469;DTXSID80575089

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

5-Pyrimidinamine,4,6-dimethyl-(9CI) Basic Attributes

123.15576

123.079643

DTXSID80575089

Characteristics

51.8

0.3

1.112±0.06 g/cm3 (20 ºC 760 Torr)

256.3ºC at 760 mmHg

132.5±13.1 °C

1.570

5-Pyrimidinamine,4,6-dimethyl-(9CI) Use and Manufacturing

3.0 g (7.0 mmol) of Intermediate I-3-2 and 80 ml of toluene were added to a reactor, and then, 0.4 g (3.3 mmol) of Step 4:To a solution of 2-chloro-4, 6-dimethyl-5-nitropyrimidine (50 mg, 0.26 mmol) in ethanol was added 10% Pd/C. The mixture was stirred under an atmosphere of H2 at room temperature for 5 h. The reaction mixture was filtered through a pad of celite and concentrated in vacuo to give the title compound IM06 (20 mg, 63%). 1H NMR (DMSO-d6, 400 MHz) delta 7.17 (1H, s), 4.99 (2H, s), 2.26 (6H, s).5-Amino-4, 6-dimethylpyrimidine 208 g (0.85 mol) [4, 6-dimethyl-2-thiopyrimidin-5-ylazo]benzene are taken up in 2 liters of CH3 OH and treated during 23 hours with Raney-Ni/H2 at 20 to 35. The reaction mixture is filtered and the filtrate evaporated. The remaining dark brown oil is consecutively chromatographed on a silica gel column with ethylacetate and with CH2 Cl2 /CH3 OH 9:1 (Rf=0.25). A brown powder is obtained which is digested with pentane, then filtered and dried to yield the title compound as a brown powder, m.p. 98-100.

Computed Properties

Molecular Weight:123.16
XLogP3:0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:123.079647300
Monoisotopic Mass:123.079647300
Topological Polar Surface Area:51.8
Heavy Atom Count:9
Complexity:84.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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