A1IWU

5-(aminomethyl)pyridin-2-amine

Created:	2024-12-19
Last modified:	2025-02-05

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1 entries where A1IWU 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 A1IWU

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Chemical Component Summary
Name	5-(aminomethyl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	5-(aminomethyl)pyridin-2-amine
Formula	C₆ H₉ N₃
Molecular Weight	123.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NCc1ccc(N)nc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1CN)N
Canonical SMILES	CACTVS	3.385	NCc1ccc(N)nc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ncc1CN)N
InChI	InChI	1.06	InChI=1S/C6H9N3/c7-3-5-1-2-6(8)9-4-5/h1-2,4H,3,7H2,(H2,8,9)
InChIKey	InChI	1.06	PHBVTMQLXNCAQO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	15766771
ChEMBL	CHEMBL4538383

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.