2-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
Basic information
- CAS
59007-56-6- Standard SMILES
Nc1nc(O)c(N2C(=O)c3ccccc3C2=O)c(=O)[nH]1- InChIKey
IJMLHWNSDYUROP-UHFFFAOYSA-N- Molecular formula
- C12H8N4O4
- Average molar mass
- 272.22 g/mol
- Monoisotopic mass
- 272.05455475
Names & identifiers
- Preferred name
- 2-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
- IUPAC
- 2-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)isoindole-1,3-dione
Names & synonyms
NSC24391459007-56-6DTXSID00311587NSC-2439142-(2-Amino-4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
59007-56-6- PubChem CID
- 316342
- DTXSID
DTXSID00311587
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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