<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">293502</id>
  <title nil="true"/>
  <common-name>7-methyl-2-(4-propan-2-ylpiperazin-1-yl)-5h-pyrrolo[2,3-d]pyrimidin-6-one</common-name>
  <description>7-methyl-2-(4-propan-2-ylpiperazin-1-yl)-5h-pyrrolo[2,3-d]pyrimidin-6-one belongs to the piperazines, a subclass of diazinanes within the organic compounds. This organoheterocyclic compound has the formula C14H21N5O and an average molecular weight of 275.35 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3078677</pubchem-id>
  <chemical-formula>C14H21N5O</chemical-formula>
  <weight>275.35</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">2026-08-28T08:53:07Z</created-at>
  <updated-at type="dateTime">2026-08-28T08:53:07Z</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>CC(C)N1CCN(CC1)C2=NC=C3CC(=O)N(C3=N2)C</moldb-smiles>
  <moldb-formula>C14H21N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C14H21N5O/c1-10(2)18-4-6-19(7-5-18)14-15-9-11-8-12(20)17(3)13(11)16-14/h9-10H,4-8H2,1-3H3</moldb-inchi>
  <moldb-inchikey>ZPGUZAWHCJGTQI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">275.1746103</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.6</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>CHEM289395</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>7-methyl-2-(4-propan-2-ylpiperazin-1-yl)-5h-pyrrolo[2,3-d]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>Diazinanes</klass>
  <subklass>Piperazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0245011</sync-id>
  <structure-inchikey>ZPGUZAWHCJGTQI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000000000020000000000020000004000000000000000000000000000010100000002000000000000000200000010000000000000000000000100000000000000000000000000000000000002000000200000000000000000000000000000a000000100000000000000000000000020100000000100010000000000000400040000000000000000000004000000000000000400000080000804000000000000000000000000080080000000000000000080008008000000800000100000008000000000000001000000000080000000000000000000000000000000000000000000001000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������`�������`�������(�������`�������`������@(������@(������@h�������@(�������`�������(�������(�������(������@(������@(�������`�������������������������������	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:05:24Z</structure-indexed-at>
</compound>
