CAS 520-09-2
:5-[Bis(2-chloroethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione
Description:
5-[Bis(2-chloroethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione, commonly known as a derivative of pyrimidinedione, is a chemical compound characterized by its unique structure that includes a pyrimidine ring substituted with a bis(2-chloroethyl)amino group and a methyl group. This compound is notable for its potential applications in medicinal chemistry, particularly as an antitumor agent due to its ability to interfere with cellular processes. The presence of the chloroethyl groups suggests reactivity that can lead to alkylation of nucleophiles, which is a mechanism often exploited in cancer therapeutics. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical properties, such as stability and reactivity, can be influenced by the presence of the chloroethyl groups and the overall electronic environment of the pyrimidine ring. Safety and handling precautions are essential due to the potential toxicity associated with chloroethyl groups.
Formula:C9H13Cl2N3O2
InChI:InChI=1S/C9H13Cl2N3O2/c1-6-7(8(15)13-9(16)12-6)14(4-2-10)5-3-11/h2-5H2,1H3,(H2,12,13,15,16)
InChI key:InChIKey=SDTHIDMOBRXVOQ-UHFFFAOYSA-N
SMILES:N(CCCl)(CCCl)C1=C(C)NC(=O)NC1=O
Synonyms:- 2,4(1H,3H)-Pyrimidinedione, 5-[bis(2-chloroethyl)amino]-6-methyl-
- 2,6-Dihydroxy-4-methyl-5-[bis(2-chloroethyl)amino]pyrimidine
- ENT 50698
- Uracil, 5-[bis(2-chloroethyl)amino]-6-methyl-
- 5-[Bis(2-chloroethyl)amino]-6-methyl-2,4(1H,3H)-pyrimidinedione
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