<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">363116</id>
  <title nil="true"/>
  <common-name>4-amino-2-methyl-5-propyl-1h-pyrimidin-6-one</common-name>
  <description>4-amino-2-methyl-5-propyl-1h-pyrimidin-6-one is a chemical compound with the formula C8H13N3O. It has an average molecular weight of 167.21 g/mol.</description>
  <cas>103980-54-7</cas>
  <pubchem-id>135854961</pubchem-id>
  <chemical-formula>C8H13N3O</chemical-formula>
  <weight>167.21</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">2026-09-01T12:36:23Z</created-at>
  <updated-at type="dateTime">2026-09-01T12:36:23Z</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>CCCC1=C(N=C(NC1=O)C)N</moldb-smiles>
  <moldb-formula>C8H13N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C8H13N3O/c1-3-4-6-7(9)10-5(2)11-8(6)12/h3-4H2,1-2H3,(H3,9,10,11,12)</moldb-inchi>
  <moldb-inchikey>BJQUSXNOSUWNPN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">167.105862</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</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>CHEM359009</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>4-amino-2-methyl-5-propyl-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>CED0313159</sync-id>
  <structure-inchikey>BJQUSXNOSUWNPN-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>10000000000800000000000000000000000000000000000000000001000000002000020000000000000002000000000000000000000000000004000000000000000000000000000000001000020000000000000000000000002000000000020000000000200000000000000000000000000000000000000000000000000000040000000000000200000000000001000000000000000001000000000000000000000000000000000080000020004000000005000000000000000000000000000000000000000000000000000000000000000002200004000000000000000000000000001000000000000000000000000000000000000000000003000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAMAAAADAAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBkAoAAAAAwQGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQHQDgA
AAADAQMGQCgAAAADBAgAKAAAAAMCBgBgAAAAAQMHAGgAAAADAQILAAEAAQIA
AgMAAwRoDAQFaAwFBmgMBgdoDAcIaAwICSgCBgoABAsgCANoDEIBAAAABgMI
BwYFBBcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:55Z</structure-indexed-at>
</compound>
