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- ChemComp-YF4: 5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: YF4
NameName: 5-{[ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine

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Chemical information

Composition
Formula: C9H16N4 / Number of atoms: 29 / Formula weight: 180.25 / Formal charge: 0
Others

1t9a

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: YF4 / Model coordinates PDB-ID: 1T9A
History
Create componentJul 1, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / 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(CC)C
CACTVS 3.341CCN(C)Cc1cnc(C)nc1N
OpenEye OEToolkits 1.5.0CCN(C)Cc1cnc(nc1N)C

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SMILES CANONICAL

CACTVS 3.341CCN(C)Cc1cnc(C)nc1N
OpenEye OEToolkits 1.5.0CCN(C)Cc1cnc(nc1N)C

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InChI

InChI 1.03InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)

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InChIKey

InChI 1.03UMZINNCUCWRLDQ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-{[ethyl(methyl)amino]methyl}-2-methylpyrimidin-4-amine
OpenEye OEToolkits 1.5.05-[(ethyl-methyl-amino)methyl]-2-methyl-pyrimidin-4-amine

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PDB entries

Showing all 1 items

PDB-1t9a:
Crystal structure of yeast acetohydroxyacid synthase in complex with a sulfonylurea herbicide, tribenuron methyl

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