JH4

N-methylpyrimidin-2-amine

Created:	2018-09-10
Last modified:	2018-10-10

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3 entries where JH4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	15
Aromatic Bond Count	6

2D diagram of JH4

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Chemical Component Summary
Name	N-methylpyrimidin-2-amine
Systematic Name (OpenEye OEToolkits)	~{N}-methylpyrimidin-2-amine
Formula	C₅ H₇ N₃
Molecular Weight	109.129
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CNc1ncccn1
SMILES	CACTVS	3.385	CNc1ncccn1
SMILES	OpenEye OEToolkits	2.0.6	CNc1ncccn1
Canonical SMILES	CACTVS	3.385	CNc1ncccn1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CNc1ncccn1
InChI	InChI	1.03	InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)
InChIKey	InChI	1.03	BQNXHDSGGRTFNX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	265776

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.