5-(azidomethyl)-2,4(1H,3H)-pyrimidinedione

HCID 21963027

Notes Reactions

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Basic information

Standard SMILES: [N-]=[N+]=NCc1c[nH]c(=O)[nH]c1=O
InChIKey: FTSFSHHUBPYPIE-UHFFFAOYSA-N
Molecular formula: C5H5N5O2
Average molar mass: 167.13 g/mol
Monoisotopic mass: 167.04432442

Names & identifiers

Preferred name: 5-(azidomethyl)-2,4(1H,3H)-pyrimidinedione
IUPAC: 5-(azidomethyl)-1H-pyrimidine-2,4-dione

Names & synonyms

5-(azidomethyl)-2,4(1H,3H)-pyrimidinedione98024-77-25-azidomethyluracilorb1907892SCHEMBL308504355-(azidomethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dioneTNU1112FTSFSHHUBPYPIE-UHFFFAOYSA-NAKOS021983461

Database identifiers

PubChem CID: 21963027
Nikkaji: J3.699.114C

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 72.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 301

Related reactions

4 records

New reaction record

HRID 811706As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1114524As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2211818As productuspto-grants-2006_09

HRID 2211819As reactantuspto-grants-2006_09

Compound notes

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