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- ChemComp-LG4: 5-METHYLPYRIDIN-2-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: LG4
NameName: 5-methylpyridin-2-amine / Synonyms: 2-AMINO-5-PICOLINE

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Chemical information

Composition
Formula: C6H8N2 / Number of atoms: 16 / Formula weight: 108.141 / Formal charge: 0
Others

2eup

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LG4 / Model coordinates PDB-ID: 2EUP
History
Create componentNov 8, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04n1cc(ccc1N)C
CACTVS 3.341Cc1ccc(N)nc1
OpenEye OEToolkits 1.5.0Cc1ccc(nc1)N

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SMILES CANONICAL

CACTVS 3.341Cc1ccc(N)nc1
OpenEye OEToolkits 1.5.0Cc1ccc(nc1)N

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InChI

InChI 1.03InChI=1S/C6H8N2/c1-5-2-3-6(7)8-4-5/h2-4H,1H3,(H2,7,8)

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InChIKey

InChI 1.03CMBSSVKZOPZBKW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-methylpyridin-2-amine
OpenEye OEToolkits 1.5.05-methylpyridin-2-amine

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PDB entries

Showing all 2 items

PDB-2eup:
Cytochrome c peroxidase (CCP) in complex with 2-amino-5-picoline

PDB-7h99:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104475374 (CHIKV_MacB-x1406)

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