22539 <common-name>1,7 Dimethyluric acid</common-name> <description nil="true"/> <cas></cas> <pubchem-id>91611</pubchem-id> <chemical-formula>C7H8N4O3</chemical-formula> <weight nil="true"/> <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">2016-05-25T03:31:04Z</created-at> <updated-at type="dateTime">2026-04-02T23:33:55Z</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>CN1C(=O)NC2=C1C(=O)N(C)C(=O)N2</moldb-smiles> <moldb-formula>C7H8N4O3</moldb-formula> <moldb-inchi>InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14)</moldb-inchi> <moldb-inchikey>NOFNCLGCUJJPKU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">196.1634</moldb-average-mass> <moldb-mono-mass type="decimal">196.059640142</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82720</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>CHEM021434</chemdb-id> <dsstox-id>DTXSID30187499</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00014638</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>90.95</moldb-polar-surface-area> <moldb-refractivity>48.9246</moldb-refractivity> <moldb-polarizability>18.06105286981368</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>2.9649633548664176</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.8635946742632101</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>-0.81</moldb-alogps-logp> <moldb-alogps-logs>-1.36</moldb-alogps-logs> <moldb-alogps-solubility>8.49e+00 g/l</moldb-alogps-solubility> </compound>