CAS 1392804-24-8
:4-Chloro-5-ethynyl-2-pyrimidinamine
Description:
4-Chloro-5-ethynyl-2-pyrimidinamine is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 2 and 4. The presence of a chloro group at the 4-position and an ethynyl group at the 5-position contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its structure suggests potential use in the development of pharmaceuticals, particularly in targeting specific biological pathways due to the presence of the pyrimidine moiety, which is common in many biologically active compounds. The compound's reactivity can be influenced by the electron-withdrawing nature of the chloro group and the triple bond of the ethynyl group, making it a candidate for further chemical modifications. Safety and handling precautions should be observed, as with many nitrogen-containing heterocycles, due to potential toxicity or reactivity.
Formula:C6H4ClN3
InChI:InChI=1S/C6H4ClN3/c1-2-4-3-9-6(8)10-5(4)7/h1,3H,(H2,8,9,10)
InChI key:InChIKey=LXSANWYOFLTJJB-UHFFFAOYSA-N
SMILES:C(#C)C=1C(Cl)=NC(N)=NC1
Synonyms:- 2-Pyrimidinamine, 4-chloro-5-ethynyl-
- 4-Chloro-5-ethynyl-2-pyrimidinamine
- 4-Chloro-5-ethynylpyrimidin-2-amine
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