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- ChemComp-JH4: N-methylpyrimidin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: JH4
NameName: N-methylpyrimidin-2-amine

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Chemical information

Composition
Formula: C5H7N3 / Number of atoms: 15 / Formula weight: 109.129 / Formal charge: 0
Others

5qe4

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JH4 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5QE4
History
Create componentSep 10, 2018
Initial releaseOct 10, 2018
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 12.01CNc1ncccn1
CACTVS 3.385CNc1ncccn1
OpenEye OEToolkits 2.0.6CNc1ncccn1

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SMILES CANONICAL

CACTVS 3.385CNc1ncccn1
OpenEye OEToolkits 2.0.6CNc1ncccn1

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InChI

InChI 1.03InChI=1S/C5H7N3/c1-6-5-7-3-2-4-8-5/h2-4H,1H3,(H,6,7,8)

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InChIKey

InChI 1.03BQNXHDSGGRTFNX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-methylpyrimidin-2-amine
OpenEye OEToolkits 2.0.6~{N}-methylpyrimidin-2-amine

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PDB entries

Showing all 3 items

PDB-5qe4:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000514a

PDB-5qk2:
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z54628578

PDB-5s3l:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with Z54628578

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