4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile


Chemical Name: 4-amino-6-chloro-2-methylpyrimidine-5-carbonitrile
CAS Number: 76574-37-3
Product Number: AG003KQA(AGN-PC-0ALILU)
Synonyms:
MDL No: MFCD07761831
Molecular Formula: C6H5ClN4
Molecular Weight: 168.5837

Identification/Properties


Properties
MP:
245-246℃(Solv: ethanol, 75% (64-17-5))
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.58g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
168.020274g/mol
Monoisotopic Mass:
168.020274g/mol
Topological Polar Surface Area:
75.6Ų
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
186
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



4-Amino-6-chloro-2-methylpyrimidine-5-carbonitrile is a versatile compound that finds wide utility in chemical synthesis processes. As a key intermediate, it plays a crucial role in the development of various pharmaceuticals and agrochemicals. Its unique structure and reactivity make it a valuable building block for the synthesis of diverse heterocyclic compounds, which are essential in drug discovery and development. Additionally, this compound can be employed in the preparation of novel materials with advanced properties, highlighting its significance in material science research. Its presence in the chemical synthesis toolbox enables the creation of complex molecular structures with enhanced properties, paving the way for innovative advancements in various industries.