<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-08-30 09:03:50 UTC</creation_date>
  <update_date>2026-08-30 09:03:50 UTC</update_date>
  <accession/>
  <common_name>N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-amine</common_name>
  <class>SmallMolecule</class>
  <description>N-[bis(aziridin-1-yl)phosphoryl]-5-[(4-butoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-amine is a chemical compound with the formula C21H30N5O2P and an average molecular weight of 415.50 g/mol. This substance has been identified in or released from one recorded source, which is electrical and electronic equipment specifically related to television systems.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C21H30N5O2P</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>415.2137122</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>28461-85-0</cas_registry_number>
  <smiles>CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2NP(=O)(N3CC3)N4CC4)C)C</smiles>
  <inchi>InChI=1S/C21H30N5O2P/c1-4-5-14-28-19-8-6-18(7-9-19)15-20-16(2)22-17(3)23-21(20)24-29(27,25-10-11-25)26-12-13-26/h6-9H,4-5,10-15H2,1-3H3,(H,22,23,24,27)</inchi>
  <inchikey>XHXVAJHZTIXQQD-UHFFFAOYSA-N</inchikey>
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    <kingdom/>
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    <class/>
    <sub_class/>
    <direct_parent/>
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    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
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  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>3.8</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>415.2137122</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CCCCOC1=CC=C(C=C1)CC2=C(N=C(N=C2NP(=O)(N3CC3)N4CC4)C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C21H30N5O2P</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C21H30N5O2P/c1-4-5-14-28-19-8-6-18(7-9-19)15-20-16(2)22-17(3)23-21(20)24-29(27,25-10-11-25)26-12-13-26/h6-9H,4-5,10-15H2,1-3H3,(H,22,23,24,27)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XHXVAJHZTIXQQD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <lethaldose/>
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  <use_source/>
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  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>206679</pubchem_compound_id>
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  <wikipidia/>
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