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- ChemComp-DU7: 4-chloro-6-methylpyrimidin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: DU7
NameName: 4-chloro-6-methylpyrimidin-2-amine

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Chemical information

Composition
Formula: C5H6ClN3 / Number of atoms: 15 / Formula weight: 143.574 / Formal charge: 0
Others

6bj7

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DU7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6BJ7
History
Create componentNov 6, 2017
Initial releaseNov 7, 2018
External linksUniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01c1(N)nc(Cl)cc(n1)C
CACTVS 3.385Cc1cc(Cl)nc(N)n1
OpenEye OEToolkits 2.0.6Cc1cc(nc(n1)N)Cl

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SMILES CANONICAL

CACTVS 3.385Cc1cc(Cl)nc(N)n1
OpenEye OEToolkits 2.0.6Cc1cc(nc(n1)N)Cl

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InChI

InChI 1.03InChI=1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)

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InChIKey

InChI 1.03NPTGVVKPLWFPPX-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-chloro-6-methylpyrimidin-2-amine
OpenEye OEToolkits 2.0.64-chloranyl-6-methyl-pyrimidin-2-amine

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PDB entries

Showing all 1 items

PDB-6bj7:
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine

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