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- ChemComp-ZZ2: 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: ZZ2
NameName: 4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
Synonyms: 4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine

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Chemical information

Composition
Formula: C8H13N3O2 / Number of atoms: 26 / Formula weight: 183.208 / Formal charge: 0
Others

2wi1

Type: non-polymer / PDB classification: HETAIN / Three letter code: ZZ2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2WI1
History
Create componentMay 8, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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 10.04O(c1nc(nc(c1)C)N)CCOC
CACTVS 3.352COCCOc1cc(C)nc(N)n1
OpenEye OEToolkits 1.6.1Cc1cc(nc(n1)N)OCCOC

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SMILES CANONICAL

CACTVS 3.352COCCOc1cc(C)nc(N)n1
OpenEye OEToolkits 1.6.1Cc1cc(nc(n1)N)OCCOC

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InChI

InChI 1.03InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-3-12-2/h5H,3-4H2,1-2H3,(H2,9,10,11)

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InChIKey

InChI 1.03VCJHOFUOIQHNBC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-(2-methoxyethoxy)-6-methylpyrimidin-2-amine
OpenEye OEToolkits 1.6.14-(2-methoxyethoxy)-6-methyl-pyrimidin-2-amine

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PDB entries

Showing all 1 items

PDB-2wi1:
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone

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