Basic information
- CAS
7357-33-7- Standard SMILES
NC(=O)c1c(Nc2ccc(Br)cc2)[nH]c(=O)[nH]c1=O- InChIKey
OZRYMOSCQMZMSW-UHFFFAOYSA-N- Molecular formula
- C11H9BrN4O3
- Average molar mass
- 325.12 g/mol
- Monoisotopic mass
- 323.9858
Names & identifiers
- Preferred name
- 6-((4-Bromophenyl)amino)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
- IUPAC
- 6-(4-bromoanilino)-2,4-dioxo-1H-pyrimidine-5-carboxamide
Names & synonyms
7357-33-76-((4-Bromophenyl)amino)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide6-[(4-bromophenyl)amino]-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamideNSC73381NCIOpen2_008886DTXSID20994351NSC-733816-(4-Bromoanilino)-4-hydroxy-2-oxo-1,2-dihydropyrimidine-5-carboxamide
Database identifiers
- CAS
7357-33-7- PubChem CID
- 252136
- DTXSID
DTXSID20994351
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 455
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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