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- ChemComp-S0G: 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: S0G
NameName: 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione

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Chemical information

Composition
Formula: C10H16N4O2 / Number of atoms: 32 / Formula weight: 224.26 / Formal charge: 0
Others

3wka

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S0G / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3WKA
History
Create componentNov 6, 2013
Initial releaseApr 16, 2014
External linksUniChem / ChemSpider / BindingDB / Brenda / 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 12.01O=C1C(=C(N)N(C(=O)N1)C)N2CCCCC2
CACTVS 3.385CN1C(=C(N2CCCCC2)C(=O)NC1=O)N
OpenEye OEToolkits 1.7.6CN1C(=C(C(=O)NC1=O)N2CCCCC2)N

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SMILES CANONICAL

CACTVS 3.385CN1C(=C(N2CCCCC2)C(=O)NC1=O)N
OpenEye OEToolkits 1.7.6CN1C(=C(C(=O)NC1=O)N2CCCCC2)N

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InChI

InChI 1.03InChI=1S/C10H16N4O2/c1-13-8(11)7(9(15)12-10(13)16)14-5-3-2-4-6-14/h2-6,11H2,1H3,(H,12,15,16)

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InChIKey

InChI 1.03ABFVQIXFKQQEOF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
OpenEye OEToolkits 1.7.66-azanyl-1-methyl-5-piperidin-1-yl-pyrimidine-2,4-dione

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PDB entries

Showing all 1 items

PDB-3wka:
Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor

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