<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">365331</id>
  <title nil="true"/>
  <common-name>4-amino-5-pentyl-1h-pyrimidin-6-one</common-name>
  <description>4-amino-5-pentyl-1h-pyrimidin-6-one is a chemical compound with the formula C9H15N3O. It has an average molecular weight of 181.23 g/mol.</description>
  <cas>103980-56-9</cas>
  <pubchem-id>135854963</pubchem-id>
  <chemical-formula>C9H15N3O</chemical-formula>
  <weight>181.23</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">2026-09-01T15:52:16Z</created-at>
  <updated-at type="dateTime">2026-09-01T15:52:16Z</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>CCCCCC1=C(N=CNC1=O)N</moldb-smiles>
  <moldb-formula>C9H15N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C9H15N3O/c1-2-3-4-5-7-8(10)11-6-12-9(7)13/h6H,2-5H2,1H3,(H3,10,11,12,13)</moldb-inchi>
  <moldb-inchikey>DQENLXHRPLSILC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">181.1215121</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>CHEM361224</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-5-pentyl-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>CED0315287</sync-id>
  <structure-inchikey>DQENLXHRPLSILC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000080000002000020000000000000002000000000000000000000000000004000000000000000000000010000000000000020000000000000004000080002000000000020020000002000000000000000000000000000000000000000000000000000000040000000000000200000000000001000800000000000001000000000000000000000000000000080080000000000000008085000000000000000000000000000000000000000000000000000000000000000002000000000000000000000000000000000000040000000010000000000000800000000000000002000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������������€���`�������`�������`�������`�������`������@(������@(������@(������@h�������@8�������@(�������(�������h������������������������h���h���h��	h�	
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	�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T06:01:26Z</structure-indexed-at>
</compound>
