6-Anilino-5-nitropyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
81964-30-9- Standard SMILES
O=c1[nH]c(Nc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1- InChIKey
VNKWKVWBKYIBNE-UHFFFAOYSA-N- Molecular formula
- C10H8N4O4
- Average molar mass
- 248.19 g/mol
- Monoisotopic mass
- 248.05455475
Names & identifiers
- Preferred name
- 6-Anilino-5-nitropyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-anilino-5-nitro-1H-pyrimidine-2,4-dione
Names & synonyms
81964-30-9NSC2105036-Anilino-5-nitropyrimidine-2,4(1H,3H)-dioneDTXSID80308970NSC-2105036-anilino-5-nitro-2,4(1H,3H)-pyrimidinedione
Database identifiers
- CAS
81964-30-9- PubChem CID
- 308649
- DTXSID
DTXSID80308970
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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