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- ChemComp-T5V: pyrimidin-5-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: T5V
NameName: pyrimidin-5-amine

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Chemical information

Composition
Formula: C4H5N3 / Number of atoms: 12 / Formula weight: 95.103 / Formal charge: 0
Others

5rf3

Type: non-polymer / PDB classification: HETAIN / Three letter code: T5V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5RF3
History
Create componentMar 16, 2020
Initial releaseMar 25, 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 12.01n1cncc(N)c1
CACTVS 3.385Nc1cncnc1
OpenEye OEToolkits 2.0.7c1c(cncn1)N

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SMILES CANONICAL

CACTVS 3.385Nc1cncnc1
OpenEye OEToolkits 2.0.7c1c(cncn1)N

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InChI

InChI 1.03InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2

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InChIKey

InChI 1.03FVLAYJRLBLHIPV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01pyrimidin-5-amine
OpenEye OEToolkits 2.0.7pyrimidin-5-amine

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PDB entries

Showing all 4 items

PDB-5rf3:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1741970824

PDB-5s7a:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b

PDB-7h7z:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1741970824 (CHIKV_MacB-x1108)

PDB-9rau:
Streptococcus pyogenes GapN in complex with pyrimidine-5-amine

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