6-chloro-N-methyl-pyrimidine-4,5-diamine
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6-chloro-N-methyl-pyrimidine-4,5-diamine
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CAS No:
52602-68-3
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Formula:
C5H7ClN4
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Chemical Name:
6-chloro-N-methyl-pyrimidine-4,5-diamine
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Synonyms:
4,5-Pyrimidinediamine, 6-chloro-N4-methyl-;6-chloro-N-methyl-pyrimidine-4,5-diamine;6-Chloro-N4-methyl-4,5-pyrimidinediamine;4-(Methylamino)-5-amino-6-chloropyrimidine;4-Chloro-5-amino-6-(methylamino)pyrimidine;5-Amino-6-chloro-4-(methylamino)pyrimidine;6-chloro-4-Methyl-4,5-dihydropyriMidine-4,5-diaMine
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CAS No:
6-chloro-N-methyl-pyrimidine-4,5-diamine Basic Attributes
158.589
158.035919
210278
DTXSID90308860
2933599090
Safety Information
|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
6-chloro-N-methyl-pyrimidine-4,5-diamine Use and Manufacturing
General procedure: A solution of 5-amino-4, 6-dichloropyrimidine (5, 1.0 mmol), triethylamine (1.0 mmol), ethanol (4.3 mL), and the appropriateamine (2.5 mmol) was heated in a steel vial for the time specifiedfor each compound. After the removal of volatiles in vacuo, thecrude was purified as described for each compound. 4.1.2 4, 5-Diamino-6-chloro-NSynthesis of Compound 11.1. A mixture of 4, 6-dichloropyrimidin-5-amine (10 g, 6.09 mmol) and methyl amine (20 mL, 40percent solution in water) in 1, 4 dioxane was heated (80° C.). After 16 hr, the reaction mixture was cooled (0° C.), the solid was filtered, washed with water (2.x.100 mL), and dried to afford compound 11.1 (8 g, 83percent) as white solid. 6-Chloro-N-methylpyrimidine-4, 5-diamine Iron powder (10 eq.) was added to a very well stirred solution of the appropriate 4-aminosubstituted-6-chloro-5-nitro pyrimidine (14 mmol, 1 eq.) in acetic acid (300 mL) used as a solvent. The mixture was stirred at room temperature for 3 h and concentrated in vacuum. The residue was diluted with ethylacetate and the mixture washed with NaHCO3 solution until pH neutral. The combined organic layers were washed with water and brine, dried (Na2SO4) and evaporated to afford the title compound.
Computed Properties
Molecular Weight:158.59
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:158.0359239
Monoisotopic Mass:158.0359239
Topological Polar Surface Area:63.8
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
6-chloro-N-methyl-pyrimidine-4,5-diamine
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