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- ChemComp-HM2: 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: HM2
NameName: 5-chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine

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Chemical information

Composition
Formula: C18H17ClN4 / Number of atoms: 40 / Formula weight: 324.807 / Formal charge: 0
Others

2g6p

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HM2 / Model coordinates PDB-ID: 2G6P
History
Create componentApr 25, 2006
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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 10.04Clc1c(nc(nc1C)c2ncccc2)NCCc3ccccc3
CACTVS 3.341Cc1nc(nc(NCCc2ccccc2)c1Cl)c3ccccn3
OpenEye OEToolkits 1.5.0Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl

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SMILES CANONICAL

CACTVS 3.341Cc1nc(nc(NCCc2ccccc2)c1Cl)c3ccccn3
OpenEye OEToolkits 1.5.0Cc1c(c(nc(n1)c2ccccn2)NCCc3ccccc3)Cl

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InChI

InChI 1.03InChI=1S/C18H17ClN4/c1-13-16(19)18(21-12-10-14-7-3-2-4-8-14)23-17(22-13)15-9-5-6-11-20-15/h2-9,11H,10,12H2,1H3,(H,21,22,23)

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InChIKey

InChI 1.03HIUOABSWQSUEGK-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.045-chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
OpenEye OEToolkits 1.5.05-chloro-6-methyl-N-phenethyl-2-pyridin-2-yl-pyrimidin-4-amine

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PDB entries

Showing all 1 items

PDB-2g6p:
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with Pyridyl pyrimidine derivative

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