328399 <common-name>2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(3,4,5-trimethoxyphenyl)methyl]-1h-pyrimidin-6-one</common-name> <description>2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(3,4,5-trimethoxyphenyl)methyl]-1h-pyrimidin-6-one is a chemical compound with the formula C21H27N5O4S. It has an average molecular weight of 445.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3053701</pubchem-id> <chemical-formula>C21H27N5O4S</chemical-formula> <weight>445.5</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">2026-08-30T08:15:50Z</created-at> <updated-at type="dateTime">2026-08-30T08:15:50Z</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>CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC(=C(C(=C3)OC)OC)OC</moldb-smiles> <moldb-formula>C21H27N5O4S</moldb-formula> <moldb-inchi>InChI=1S/C21H27N5O4S/c1-13-16(25-12-24-13)11-31-6-5-22-21-23-10-15(20(27)26-21)7-14-8-17(28-2)19(30-4)18(9-14)29-3/h8-10,12H,5-7,11H2,1-4H3,(H,24,25)(H2,22,23,26,27)</moldb-inchi> <moldb-inchikey>ZGIWZRZVCPIVMC-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">445.1783755</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM324292</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-5-[(3,4,5-trimethoxyphenyl)methyl]-1h-pyrimidin-6-one</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Benzenoids</superklass> <klass>Phenol ethers</klass> <subklass>Anisoles</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0278991</sync-id> <structure-inchikey>ZGIWZRZVCPIVMC-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000008000000008000200000001000000000000000000004000002028000000200004000000000020000000000000000000000000000000000000000000000000000000000000000000a0001000000900004000000002002000000000020000002040000000100000000000000000004000000000000000003000000040010000000000200000000880000002000000000000000000000002000000000000000004000000080000000080020000080000000000000000000180000000000000010000010080000000000000040000002000004020000000000000000020010000000040000840000000000000000020000003000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ��������������������!���€���`������@(������@(������@(������@h�������@8��������`������� ������`�������`�������h�������@(������@(������@h�������@(������@(�������(������@8��������`������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�����������h���h���h���h����������� � � � ��h�� h� �h���h���(���h���������h���h���h���h���h��� ����� ����� �����h���h���h�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:31:30Z</structure-indexed-at> </compound>