WBU

5-AMINO-1H-PYRIMIDINE-2,4-DIONE

Created: 2004-11-05
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count14
Aromatic Bond Count6
2D diagram of WBU
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Chemical Component Summary

Name5-AMINO-1H-PYRIMIDINE-2,4-DIONE
Systematic Name (OpenEye OEToolkits)5-amino-1H-pyrimidine-2,4-dione
FormulaC4 H5 N3 O2
Molecular Weight127.101
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C(N)=CNC(=O)N1
SMILESCACTVS3.341NC1=CNC(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0C1=C(C(=O)NC(=O)N1)N
Canonical SMILESCACTVS3.341 NC1=CNC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 C1=C(C(=O)NC(=O)N1)N
InChIInChI1.03 InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
InChIKeyInChI1.03 BISHACNKZIBDFM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03792 
Name5-Aminouracil
Groups experimental
Synonyms
  • 5-Aminouracil
  • 5-aminopyrimidine-2,4(1H,3H)-dione
  • 5-Amino-2,4-dihydroxypyrimidine
Categories
  • Pyrimidines
  • Pyrimidinones
CAS number932-52-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Ribonuclease pancreaticMALEKSLVRLLLLVLILLVLGWVQPSLGKESRAKKFQRQHMDSDSSPSSS...unknown
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 13611, 5289569
ChEMBL CHEMBL1236704
CCDC/CSD PAVHUS, PATYER