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- ChemComp-PF1: N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: PF1
NameName: N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(2-hydroxyethyl)formamide

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Chemical information

Composition
Formula: C9H14N4O2 / Number of atoms: 29 / Formula weight: 210.233 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PF1 / Ideal coordinates details: Corina
History
Create componentJul 11, 2007
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 10.04O=CN(Cc1cnc(nc1N)C)CCO
CACTVS 3.341Cc1ncc(CN(CCO)C=O)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN(CCO)C=O

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(CN(CCO)C=O)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN(CCO)C=O

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InChI

InChI 1.03InChI=1S/C9H14N4O2/c1-7-11-4-8(9(10)12-7)5-13(6-15)2-3-14/h4,6,14H,2-3,5H2,1H3,(H2,10,11,12)

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InChIKey

InChI 1.03PXEGMHGZZOOILN-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-(2-hydroxyethyl)formamide
OpenEye OEToolkits 1.5.0N-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-N-(2-hydroxyethyl)methanamide

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PDB entries

Showing all 1 items

PDB-2qcx:
Crystal structure of Bacillus subtilis TenA Y112F mutant complexed with formyl aminomethyl pyrimidine

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