Chemical Formula: C6H10ClN5

Desethyl atrazine

C6H10ClN5 (187.0625)

Des-ethyl atrazine (DEA) can cause developmental toxicity and female reproductive toxicity according to The Environmental Protection Agency (EPA). Deethylatrazine is a chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group. It has a role as a marine xenobiotic metabolite. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine. It is functionally related to a 6-chloro-1,3,5-triazine-2,4-diamine. Structural Features: Triazine Ring: The compound contains a 1,3,5-triazine ring, which is a six-membered ring with nitrogen atoms at positions 1, 3, and 5. This ring is substituted at the 2 and 4 positions. Triazine rings are core structures in many pesticides and pharmaceutical molecules, exhibiting a wide range of biological activities. Chlorine Substitution: There is a chlorine atom substituted at the 6 position of the triazine ring, which can influence the compound's electronic distribution and lipophilicity. Isopropyl Substitution: An isopropyl group (-N(C(C)C) is substituted at the 2 position of the triazine ring, increasing the molecule's volume and lipophilicity. Amino Group Substitution: An amino group (-N) is substituted at the 4 position of the triazine ring, providing potential basic characteristics and hydrophilicity to the compound. Possible Biological Functions or Drug Activities: Herbicidal Activity: Triazine compounds are often used as herbicides, such as Atrazine, which kill weeds by inhibiting photosystem II in the photosynthesis process of plants. Antibacterial and Antifungal Activity: The triazine ring structure has potential antibacterial and antifungal activities, possibly by interfering with microbial metabolic pathways. Antiviral Activity: Some triazine compounds exhibit antiviral activity, potentially by inhibiting specific stages of the viral replication cycle. Anticancer Activity: Triazine compounds are also being researched for anticancer drug development, possibly by inhibiting the growth of tumor cells or inducing apoptosis. Enzyme Inhibition: The compound may act as an enzyme inhibitor by binding to the active site of enzymes, thereby regulating metabolic pathways within organisms. Receptor Antagonist or Agonist: Due to its structural features, the compound may act as a receptor antagonist or agonist, binding to receptors in biological systems and regulating signaling pathways. Considerations: Toxicity: Triazine compounds may have toxicity, and their safety for the environment and organisms needs to be evaluated. Metabolic Stability: The metabolic stability of the compound affects its effectiveness and safety as a drug. Selectivity: The selectivity of the compound is important to ensure it acts only on target organisms or cells without affecting non-target organisms or cells. In summary, based on its structural features, this compound may have a variety of biological functions or drug activities. However, the specific mechanisms of action and effects would need to be validated through experimental research.
Deethylatrazine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6190-65-4 (retrieved 2025-02-10) (CAS RN: 6190-65-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7123; ORIGINAL_PRECURSOR_SCAN_NO 7121 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7114; ORIGINAL_PRECURSOR_SCAN_NO 7112 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7136; ORIGINAL_PRECURSOR_SCAN_NO 7132 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7127; ORIGINAL_PRECURSOR_SCAN_NO 7125 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7139; ORIGINAL_PRECURSOR_SCAN_NO 7137 CONFIDENCE standard compound; INTERNAL_ID 1296; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7129; ORIGINAL_PRECURSOR_SCAN_NO 7127 6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine is a major soil metabolite of Atrazine DKW85-F. Environmental pollutant of soil and water. Major soil metabolite of Atrazine DKW85-F. Environmental pollutant of soil and water. CONFIDENCE standard compound; EAWAG_UCHEM_ID 309 CONFIDENCE standard compound; INTERNAL_ID 4025 INTERNAL_ID 3016; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 8408 CONFIDENCE standard compound; INTERNAL_ID 3016 CONFIDENCE standard compound; INTERNAL_ID 2537

6-(CHLOROMETHYL)-N,N-DIMETHYL-1,3,5-TRIAZINE-2,4-DIAMINE

C6H10ClN5 (187.0625)

Deethylatrazine

C6H10ClN5 (187.0625)

A chloro-1,3,5-triazine that is 6-chloro-1,3,5-triazine-2,4-diamine in which one of the hydrogens of the amino group is replaced by a propan-2-yl group.