Basic information
- CAS
6964-60-9- Standard SMILES
COc1ccc(Nc2c(C(=O)O)[nH]c(=O)[nH]c2=O)cc1- InChIKey
HHZXENMBBIQSCX-UHFFFAOYSA-N- Molecular formula
- C12H11N3O5
- Average molar mass
- 277.23 g/mol
- Monoisotopic mass
- 277.06987046
Names & identifiers
- Preferred name
- 5-[(4-Methoxyphenyl)amino]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
- IUPAC
- 5-(4-methoxyanilino)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
Names & synonyms
6964-60-95-[(4-methoxyphenyl)amino]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid5-((4-Methoxyphenyl)amino)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acidNSC66697NCIOpen2_003068DTXSID10290117NSC-666975-(p-methoxy-phenylamino)orotic acidDS-0056345-[(4-methoxyphenyl)amino]-2,6-dioxo-3H-pyrimidine-4-carboxylic acid5-(4-Methoxyanilino)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
Database identifiers
- CAS
6964-60-9- PubChem CID
- 248971
- DTXSID
DTXSID10290117
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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