2-(2-Allyloxyphenyl)-4-amino-5-nitrosopyrimid-6-one
Basic information
- Standard SMILES
C=CCOc1ccccc1-c1nc(N)c(N=O)c(=O)[nH]1- InChIKey
GRDYNRWQTIGNLB-UHFFFAOYSA-N- Molecular formula
- C13H12N4O3
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.09094026
Names & identifiers
- Preferred name
- 2-(2-Allyloxyphenyl)-4-amino-5-nitrosopyrimid-6-one
- IUPAC
- 4-amino-5-nitroso-2-(2-prop-2-enoxyphenyl)-1H-pyrimidin-6-one
Names & synonyms
GRDYNRWQTIGNLB-UHFFFAOYSA-N2-(2-Allyloxyphenyl)-4-amino-5-nitrosopyrimid-6-one
Database identifiers
- PubChem CID
- 136354615
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 484
Related reactions
3 records
Compound notes
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