<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">289175</id>
  <title nil="true"/>
  <common-name>5-ethyl-5-(3-ethylpent-2-enyl)-1,3-diazinane-2,4,6-trione</common-name>
  <description>5-ethyl-5-(3-ethylpent-2-enyl)-1,3-diazinane-2,4,6-trione belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. This organoheterocyclic compound has the formula C13H20N2O3 and an average molecular weight of 252.31 g/mol.</description>
  <cas>66968-33-0</cas>
  <pubchem-id>48732</pubchem-id>
  <chemical-formula>C13H20N2O3</chemical-formula>
  <weight>252.31</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-28T02:32:43Z</created-at>
  <updated-at type="dateTime">2026-08-28T02:32:43Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC(=CCC1(C(=O)NC(=O)NC1=O)CC)CC</moldb-smiles>
  <moldb-formula>C13H20N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C13H20N2O3/c1-4-9(5-2)7-8-13(6-3)10(16)14-12(18)15-11(13)17/h7H,4-6,8H2,1-3H3,(H2,14,15,16,17,18)</moldb-inchi>
  <moldb-inchikey>SARLQHKTURSOGN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">252.1473925</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM285068</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>5-ethyl-5-(3-ethylpent-2-enyl)-1,3-diazinane-2,4,6-trione</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Diazines</klass>
  <subklass>Pyrimidines and pyrimidine derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0240872</sync-id>
  <structure-inchikey>SARLQHKTURSOGN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000800000000000000000000000000000000000800000000000000002000020040000000000000000000000000000001000000100000000000000100000000000000000000000000020000000000200004000000000000000000000010000000000000000000000200000000000000000000000000001000000000048000800000000200000000000000000000000000000000000001000000000000000000001000000080000000000000000010080000000000000000000000400000000000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000002000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAASAAAAEgAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAKAAAAAMEBgBoAAAAAwMBBgBgAAAAAgIGACAAAAAEBgAoAAAAAwQIACgA
AAADAgcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGACgAAAAD
BAgAKAAAAAMCBgBgAAAAAgIGAGAAAAABAwYAYAAAAAICBgBgAAAAAQMLAAEA
AQIAAgMIAgMEAAQFAAUGAAYHKAIGCCAICSAJCigCCQsgCwwgDA0oAgUOAA4P
AAIQABARAAwFAEIBAAAABgUMCwkIBhcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:02:08Z</structure-indexed-at>
</compound>
