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- ChemComp-NSP: 5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: NSP
NameName: 5-(aminomethyl)-2-methylpyrimidin-4-amine

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Chemical information

Composition
Formula: C6H10N4 / Number of atoms: 20 / Formula weight: 138.17 / Formal charge: 0
Others

1e80

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NSP / Model coordinates PDB-ID: 1E80
History
Create componentSep 15, 2000
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / CompTox / DrugBank / 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 10.04n1c(N)c(cnc1C)CN
CACTVS 3.341Cc1ncc(CN)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(CN)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN

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InChI

InChI 1.03InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)

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InChIKey

InChI 1.03OZOHTVFCSKFMLL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-(aminomethyl)-2-methylpyrimidin-4-amine
OpenEye OEToolkits 1.5.05-(aminomethyl)-2-methyl-pyrimidin-4-amine

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PDB entries

Showing all 1 items

PDB-1t9b:
Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, chlorsulfuron

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