Chemical Component Summary

Name6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
Synonyms6-(DIHYDROXY-ISOBUTYL)-THYMINE
Identifiers6-[3-hydroxy-2-(hydroxymethyl)propyl]-5-methyl-1H-pyrimidine-2,4-dione
FormulaC9 H14 N2 O4
Molecular Weight214.218
TypeNON-POLYMER
Isomeric SMILESCC1=C(NC(=O)NC1=O)CC(CO)CO
InChIInChI=1S/C9H14N2O4/c1-5-7(2-6(3-12)4-13)10-9(15)11-8(5)14/h6,12-13H,2-4H2,1H3,(H2,10,11,14,15)
InChIKeyCLCPDSJUXHDRGX-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count29
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB02500 
Name6-(Dihydroxy-Isobutyl)-Thymine
Groups experimental
Synonyms
  • 6-(1,3-dihydroxyisobutyl)thymine
  • 6-(Dihydroxyisobutyl)-Thymine
  • 6-(Dihydroxy-Isobutyl)-Thymine

Drug Targets

NameTarget SequencePharmacological ActionActions
Thymidine kinaseMASYPCHQHASAFDQAARSRGHSNRRTALRPRRQQEATEVRLEQKMPTLL...unknownsubstrate
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5287895, 1855
ChEBI CHEBI:41485