XDK

2-AMINO-4-PYRIDYL-PYRIMIDINE

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

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2 entries where XDK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	13

2D diagram of XDK

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Chemical Component Summary
Name	2-AMINO-4-PYRIDYL-PYRIMIDINE
Systematic Name (OpenEye OEToolkits)	4-pyridin-3-ylpyrimidin-2-amine
Formula	C₉ H₈ N₄
Molecular Weight	172.187
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n2c(c1cnccc1)ccnc2N
SMILES	CACTVS	3.352	Nc1nccc(n1)c2cccnc2
SMILES	OpenEye OEToolkits	1.6.1	c1cc(cnc1)c2ccnc(n2)N
Canonical SMILES	CACTVS	3.352	Nc1nccc(n1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	1.6.1	c1cc(cnc1)c2ccnc(n2)N
InChI	InChI	1.03	InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
InChIKey	InChI	1.03	LQHQKYWYKPLKCH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12450582
ChEMBL	CHEMBL1236798
CCDC/CSD	KUDQEI

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.