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- ChemComp-HMH: 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE -

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Basic information

EntryDatabase: PDB chemical components / ID: HMH
NameName: 4-amino-5-hydroxymethyl-2-methylpyrimidine

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Chemical information

Composition
Formula: C6H9N3O / Number of atoms: 19 / Formula weight: 139.155 / Formal charge: 0
Others

2f2g

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HMH / Model coordinates PDB-ID: 2F2G
History
Create componentSep 13, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / KEGG_Ligand / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / 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)CO
CACTVS 3.341Cc1ncc(CO)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CO

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SMILES CANONICAL

CACTVS 3.341Cc1ncc(CO)c(N)n1
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CO

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InChI

InChI 1.03InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)

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InChIKey

InChI 1.03VUTBELPREDJDDH-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(4-amino-2-methylpyrimidin-5-yl)methanol
OpenEye OEToolkits 1.5.0(4-amino-2-methyl-pyrimidin-5-yl)methanol

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