<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4586</id>
  <title>T3D4532</title>
  <common-name>Pyrimethanil</common-name>
  <description>Pyrimethanil is a fungicide used on grape vines.</description>
  <cas>53112-28-0</cas>
  <pubchem-id>91650</pubchem-id>
  <chemical-formula>C12H13N3</chemical-formula>
  <weight>199.25</weight>
  <appearance>White powder.</appearance>
  <melting-point>88 - 89°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:45Z</created-at>
  <updated-at type="dateTime">2026-04-17T17:34:13Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11180</kegg-compound-id>
  <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>CC1=CC(C)=NC(NC2=CC=CC=C2)=N1</moldb-smiles>
  <moldb-formula>C12H13N3</moldb-formula>
  <moldb-inchi>InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)</moldb-inchi>
  <moldb-inchikey>ZLIBICFPKPWGIZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">199.2517</moldb-average-mass>
  <moldb-mono-mass type="decimal">199.110947431</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB33135</hmdb-id>
  <chembl-id>CHEMBL540677</chembl-id>
  <chemspider-id>82753</chemspider-id>
  <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>CHEM003492</chemdb-id>
  <dsstox-id>DTXSID8034877</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000363</susdat-id>
  <iupac>4,6-dimethyl-N-phenylpyrimidin-2-amine</iupac>
</compound>
