LGA

PYRIMIDIN-2-AMINE

Created:2008-03-31
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count12
Aromatic Bond Count6
2D diagram of LGA

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Chemical Component Summary

NamePYRIMIDIN-2-AMINE
Systematic Name (OpenEye OEToolkits)pyrimidin-2-amine
FormulaC4 H5 N3
Molecular Weight95.103
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n1cccnc1N
SMILESCACTVS3.341Nc1ncccn1
SMILESOpenEye OEToolkits1.5.0c1cnc(nc1)N
Canonical SMILESCACTVS3.341 Nc1ncccn1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cnc(nc1)N
InChIInChI1.03 InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
InChIKeyInChI1.03 LJXQPZWIHJMPQQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 7978
ChEMBL CHEMBL88580
ChEBI CHEBI:38618
CCDC/CSD COLHIX, COLHOD, AMPYRM11, CALFUS, EWANIA, AMPYRM01, AMPYRM10, EPUSIT, DAQZIH