<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">281707</id>
  <title nil="true"/>
  <common-name>1-(2,6-dimethylphenyl)-3-[(e)-n'-methoxycarbamimidoyl]urea</common-name>
  <description>1-(2,6-dimethylphenyl)-3-[(e)-n'-methoxycarbamimidoyl]urea belongs to the n-phenylureas, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C11H16N4O2 and an average molecular weight of 236.27 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>135599675</pubchem-id>
  <chemical-formula>C11H16N4O2</chemical-formula>
  <weight>236.27</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">2026-08-27T17:04:44Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:04:44Z</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>CC1=C(C(=CC=C1)C)NC(=O)NC(=NOC)N</moldb-smiles>
  <moldb-formula>C11H16N4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C11H16N4O2/c1-7-5-4-6-8(2)9(7)13-11(16)14-10(12)15-17-3/h4-6H,1-3H3,(H4,12,13,14,15,16)</moldb-inchi>
  <moldb-inchikey>QGZSIWYCIGOBQA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">236.1273258</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2</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>CHEM277600</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>1-(2,6-dimethylphenyl)-3-[(e)-n'-methoxycarbamimidoyl]urea</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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>N-phenylureas</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0233665</sync-id>
  <structure-inchikey>QGZSIWYCIGOBQA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000000000000400000000000100000000000000000000000000001000000000000000000000000020000000004100000004000000000000000000010000000040000000000000000000000000000000000000000000000001000040000800800000010000000080001000000000000000000000000000080000000000000000000000080100000002000000008000000400000000000000000000000000000000000000000000000000000000002000000200000000001000008000000000000040000000000400000000000000000441000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAARAAAAEQAAAIABBgBgAAAAAQMGQCgAAAAD
BAZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG
AGAAAAABAwcAaAAAAAMCAQYAKAAAAAMECAAoAAAAAwIHAGgAAAADAgEGACgA
AAADBAcAKAAAAAMDCAAoAAAAAwIGAGAAAAABAwcAaAAAAAMBAgsAAQABAmgM
AgNoDAMEaAwEBWgMBQZoDAMHAAIIIAgJIAkKKAIJCyALDCAMDSgCDQ4gDg8A
DBAgBgFoDEIBAAAABgEGBQQDAhcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:56:41Z</structure-indexed-at>
</compound>
