313001 <common-name>5-[(4-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-1h-pyrimidin-6-one</common-name> <description>5-[(4-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-1h-pyrimidin-6-one is a chemical compound with the formula C18H21N5O2S. It has an average molecular weight of 371.50 g/mol.</description> <cas nil="true"/> <pubchem-id>3053707</pubchem-id> <chemical-formula>C18H21N5O2S</chemical-formula> <weight>371.5</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">2026-08-29T09:43:41Z</created-at> <updated-at type="dateTime">2026-08-29T09:43:41Z</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)O</moldb-smiles> <moldb-formula>C18H21N5O2S</moldb-formula> <moldb-inchi>InChI=1S/C18H21N5O2S/c1-12-16(22-11-21-12)10-26-7-6-19-18-20-9-14(17(25)23-18)8-13-2-4-15(24)5-3-13/h2-5,9,11,24H,6-8,10H2,1H3,(H,21,22)(H2,19,20,23,25)</moldb-inchi> <moldb-inchikey>YHQNYDDUQJXKIO-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">371.1415961</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.4</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>CHEM308894</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>5-[(4-hydroxyphenyl)methyl]-2-[2-[(5-methyl-1h-imidazol-4-yl)methylsulfanyl]ethylamino]-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>Organoheterocyclic compounds</superklass> <klass>Diazines</klass> <subklass>Pyrimidines and pyrimidine derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0263924</sync-id> <structure-inchikey>YHQNYDDUQJXKIO-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000008000000008000200000001000000000000000000000000002008000002200000000000000020000000000000000000000000000000000000000000000000000000000000000000a0001000000800004000000042002000000000030000002000000000000000000000000000004000000000000000000000000041010000000000200000000880000002000000000000000000000002000000004000000004000000080000000080020000080000000000000000000100000000000000002000010080000000000000040000002000004220000020000000000020010000000040000040000000000000000000000003000000002000</structure-fingerprint> <structure-pattern-fingerprint>501000008112064081000940012820000190040201052004003720408200080c54020051108000000008410804800000046000a6408c32010020e43000a1c000c6110c00029046000090100000720200000405905321113a40000422000049000c2025260068820020000410d5140201200080700109c0041118082002510002104000080ef082080c0212500c2c0008113c08924400168a1400082010404084404310001090c00008010860017c25100ac02000894108401c00221088c00210000080c424001a3201800400040102c009000800024050200d0002040800030010104910188100040000001340122000001000308046000e000000005a000002</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��� ��h���h���h�B������������ ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:19:50Z</structure-indexed-at> </compound>