2,4-Pyrimidinediamine, N2-[4-(aminomethyl)phenyl]-5-fluoro-N4-phenyl-


Chemical Name: 2,4-Pyrimidinediamine, N2-[4-(aminomethyl)phenyl]-5-fluoro-N4-phenyl-
CAS Number: 916603-07-1
Product Number: AG00GTBZ(AGN-PC-00QPJR)
Synonyms:
MDL No:
Molecular Formula: C17H16FN5
Molecular Weight: 309.3408

Identification/Properties


Computed Properties
Molecular Weight:
309.348g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
5
Exact Mass:
309.139g/mol
Monoisotopic Mass:
309.139g/mol
Topological Polar Surface Area:
75.9A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
342
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

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Chemical Structure



The compound N2-(4-(Aminomethyl)phenyl)-5-fluoro-N4-phenylpyrimidine-2,4-diamine plays a crucial role in chemical synthesis, particularly in the field of medicinal chemistry and drug development. This specific compound serves as a versatile building block for the creation of novel pharmaceutical agents and bioactive molecules. Its unique structural features make it a valuable intermediate in the synthesis of potential therapeutic agents targeting various biological pathways.In chemical synthesis, this compound can undergo specific reactions to introduce functional groups or modify its structure, enabling the creation of diverse derivatives with potentially enhanced pharmacological properties. The presence of both an amine and amino group in its structure provides opportunities for further derivatization, allowing chemists to tune the compound's physicochemical properties for specific applications.Additionally, the fluorine atom in the molecule can confer beneficial properties such as improved metabolic stability, bioavailability, and binding affinity to biological targets. By strategically leveraging the presence of fluorine, researchers can design and synthesize drug candidates with potentially superior pharmacokinetic profiles compared to their non-fluorinated counterparts.Overall, the application of N2-(4-(Aminomethyl)phenyl)-5-fluoro-N4-phenylpyrimidine-2,4-diamine in chemical synthesis represents a cornerstone in the development of innovative pharmaceuticals and bioactive compounds with diverse biological activities and therapeutic potentials.