R8S

2-hydrazinyl-4-methoxypyrimidine

Created:	2020-02-10
Last modified:	2020-06-03

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4 entries where R8S is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	18
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	6

2D diagram of R8S

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Chemical Component Summary
Name	2-hydrazinyl-4-methoxypyrimidine
Systematic Name (OpenEye OEToolkits)	(4-methoxypyrimidin-2-yl)diazane
Formula	C₅ H₈ N₄ O
Molecular Weight	140.143
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(nc(ccn1)OC)NN
SMILES	CACTVS	3.385	COc1ccnc(NN)n1
SMILES	OpenEye OEToolkits	2.0.6	COc1ccnc(n1)NN
Canonical SMILES	CACTVS	3.385	COc1ccnc(NN)n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1ccnc(n1)NN
InChI	InChI	1.03	InChI=1S/C5H8N4O/c1-10-4-2-3-7-5(8-4)9-6/h2-3H,6H2,1H3,(H,7,8,9)
InChIKey	InChI	1.03	HXQPYFMXCAIHAB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	817003

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.