2BP

9H-purin-2-amine

Created:	2009-02-05
Last modified:	2021-03-01

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1 entries where 2BP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

2D diagram of 2BP

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Chemical Component Summary
Name	9H-purin-2-amine
Synonyms	2-AMINOPURINE
Systematic Name (OpenEye OEToolkits)	9H-purin-2-amine
Formula	C₅ H₅ N₅
Molecular Weight	135.127
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc2ncnc2nc1N
SMILES	CACTVS	3.341	Nc1ncc2nc[nH]c2n1
SMILES	OpenEye OEToolkits	1.5.0	c1c2c([nH]cn2)nc(n1)N
Canonical SMILES	CACTVS	3.341	Nc1ncc2nc[nH]c2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c2c([nH]cn2)nc(n1)N
InChI	InChI	1.03	InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChIKey	InChI	1.03	MWBWWFOAEOYUST-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9955
ChEMBL	CHEMBL388594
ChEBI	CHEBI:479072
CCDC/CSD	MIMWAH, MIMWAH01

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.