<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 22:05:53 UTC</creation_date>
  <update_date>2026-08-18 16:37:33 UTC</update_date>
  <accession/>
  <common_name>1,3-Dimethyl-5-phenylbarbituric acid</common_name>
  <class>SmallMolecule</class>
  <description>1,3-Dimethyl-5-phenylbarbituric acid is an organic compound with the formula C12H12N2O3 and an average molecular weight of 232.24 g/mol. 1,3-Dimethyl-5-phenylbarbituric acid belongs to the pyrimidines and pyrimidine derivatives, a subclass of diazines within the organic compounds. It is further classified as an organoheterocyclic compound. This substance has been identified as being found in or released from one recorded source: electrical and electronic equipment, specifically electric hearing aids.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C12H12N2O3</chemical_formula>
  <average_molecular_weight>232.239</average_molecular_weight>
  <monisotopic_moleculate_weight>232.0847922</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CN1C(=O)C(C2=CC=CC=C2)C(=O)N(C)C1=O</smiles>
  <inchi>InChI=1/C12H12N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h3-7,9H,1-2H3</inchi>
  <inchikey>UGFMJBRXTRUGJC-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <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/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.9</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>232.239</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>232.0847922</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CN1C(=O)C(C2=CC=CC=C2)C(=O)N(C)C1=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C12H12N2O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1/C12H12N2O3/c1-13-10(15)9(8-6-4-3-5-7-8)11(16)14(2)12(13)17/h3-7,9H,1-2H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>UGFMJBRXTRUGJC-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7225adc138&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>81873</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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