XDK

2-AMINO-4-PYRIDYL-PYRIMIDINE

Created:2010-05-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count13
2D diagram of XDK

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Chemical Component Summary

Name2-AMINO-4-PYRIDYL-PYRIMIDINE
Systematic Name (OpenEye OEToolkits)4-pyridin-3-ylpyrimidin-2-amine
FormulaC9 H8 N4
Molecular Weight172.187
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04n2c(c1cnccc1)ccnc2N
SMILESCACTVS3.352Nc1nccc(n1)c2cccnc2
SMILESOpenEye OEToolkits1.6.1c1cc(cnc1)c2ccnc(n2)N
Canonical SMILESCACTVS3.352 Nc1nccc(n1)c2cccnc2
Canonical SMILESOpenEye OEToolkits1.6.1 c1cc(cnc1)c2ccnc(n2)N
InChIInChI1.03 InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKeyInChI1.03 LQHQKYWYKPLKCH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12450582
ChEMBL CHEMBL1236798
CCDC/CSD KUDQEI