<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365242</id>
  <title nil="true"/>
  <common-name>2-[(2e)-2-butan-2-ylidenehydrazinyl]-4-methyl-1h-pyrimidin-6-one</common-name>
  <description>2-[(2e)-2-butan-2-ylidenehydrazinyl]-4-methyl-1h-pyrimidin-6-one is a compound with the formula C9H14N4O. It has an average molecular weight of 194.23 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>135491016</pubchem-id>
  <chemical-formula>C9H14N4O</chemical-formula>
  <weight>194.23</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">2026-09-01T15:44:28Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:44:28Z</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(=NNC1=NC(=CC(=O)N1)C)C</moldb-smiles>
  <moldb-formula>C9H14N4O</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N4O/c1-4-6(2)12-13-9-10-7(3)5-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)/b12-6+</moldb-inchi>
  <moldb-inchikey>YMQFMTLSLUSZMM-WUXMJOGZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">194.1167611</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.1</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>CHEM361135</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>2-[(2e)-2-butan-2-ylidenehydrazinyl]-4-methyl-1h-pyrimidin-6-one</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>CED0315199</sync-id>
  <structure-inchikey>YMQFMTLSLUSZMM-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>c00000000000000000000000000000000000000000000000000002000020000000000000002000000000000000000000000000000000000000000000000000000800000000000020000000000008000004000000000000000000010000000000000000100000200000000000020000000000000000400000000040000000000000300000000080000000000000000000000000000000000000000000000000001100080000140000000008000000000000001000800000000000000000000000000000000000000000000000002010084000000010000000000000000001000040000000000000000000000000000002000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������(�������(�������h�������@(������@(������@(������@h�������@(�������(������@8��������`�������`��������������(��� �� ��h���h���h��	h�	
(�	�h��������h�B�������	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:22Z</structure-indexed-at>
</compound>
