<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">285375</id>
  <title nil="true"/>
  <common-name>[n'-(2-methylbutan-2-yl)-n-pyridin-3-ylcarbamimidoyl]urea</common-name>
  <description>[n'-(2-methylbutan-2-yl)-n-pyridin-3-ylcarbamimidoyl]urea belongs to the pyridines and derivatives, a class of organoheterocyclic compounds within the organic compounds. This compound has the chemical formula C12H19N5O and an average molecular weight of 249.31 g/mol.</description>
  <cas>67026-77-1</cas>
  <pubchem-id>3050776</pubchem-id>
  <chemical-formula>C12H19N5O</chemical-formula>
  <weight>249.31</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">2026-08-27T21:07:05Z</created-at>
  <updated-at type="dateTime">2026-08-27T21:07:05Z</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(C)(C)N=C(NC1=CN=CC=C1)NC(=O)N</moldb-smiles>
  <moldb-formula>C12H19N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C12H19N5O/c1-4-12(2,3)17-11(16-10(13)18)15-9-6-5-7-14-8-9/h5-8H,4H2,1-3H3,(H4,13,15,16,17,18)</moldb-inchi>
  <moldb-inchikey>WBISBEQTZUMOHQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">249.1589603</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.2</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>CHEM281268</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>[n'-(2-methylbutan-2-yl)-n-pyridin-3-ylcarbamimidoyl]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>Organoheterocyclic compounds</superklass>
  <klass>Pyridines and derivatives</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0237202</sync-id>
  <structure-inchikey>WBISBEQTZUMOHQ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000002000000800000000000100000000000000000000000003400000000000000000002000800000000004000000000000000000000000000000001000000000000001800020000002000001800004000000000000000000010000000000000000000000000000000000000000000000800000000000100040800000800000010000000080801000000000000000000000000000000000000000000000000000080000000000000000000000000000000000020100000000000020001000000000000000000000000000000000000200000000000000008800000000002040080000000400000000000000200000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`������� ������`�������`�������(�������(�������h�������@(������@h�������@(������@h�������@h�������@h��������h��������(�������(�������h������������������������(��� �� �	h�	
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	����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:59:21Z</structure-indexed-at>
</compound>
