9335 <common-name>Mepanipyrim</common-name> <description nil="true"/> <cas>110235-47-7</cas> <pubchem-id>86296</pubchem-id> <chemical-formula>C14H13N3</chemical-formula> <weight>223.27</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">2016-05-19T02:41:23Z</created-at> <updated-at type="dateTime">2026-08-19T05:00:27Z</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#CC1=NC(NC2=CC=CC=C2)=NC(C)=C1</moldb-smiles> <moldb-formula>C14H13N3</moldb-formula> <moldb-inchi>InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)</moldb-inchi> <moldb-inchikey>CIFWZNRJIBNXRE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">223.279</moldb-average-mass> <moldb-mono-mass type="decimal">223.110947431</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>77839</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>CHEM008230</chemdb-id> <dsstox-id>DTXSID4042121</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000496</susdat-id> <iupac>4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine</iupac> <moldb-polar-surface-area>37.81</moldb-polar-surface-area> <moldb-refractivity>66.04710000000001</moldb-refractivity> <moldb-polarizability>25.59683123197815</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>13.401057028393435</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.2239196698324246</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.63</moldb-alogps-logp> <moldb-alogps-logs>-4.09</moldb-alogps-logs> <moldb-alogps-solubility>1.80e-02 g/l</moldb-alogps-solubility> </compound>