Basic information
- Standard SMILES
CCOC(=O)c1nc(Nc2ccc(O)cc2)nc(Nc2ccccc2OC)c1[N+](=O)[O-]- InChIKey
UDZPQYIBSZTQFS-UHFFFAOYSA-N- Molecular formula
- C20H19N5O6
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.13353334
Names & identifiers
- Preferred name
- Ethyl 2-(4-hydroxyphenylamino)-6-(2-methoxyphenylamino)-5-nitropyrimidine-4-carboxylate
- IUPAC
- ethyl 2-(4-hydroxyanilino)-6-(2-methoxyanilino)-5-nitropyrimidine-4-carboxylate
Names & synonyms
SCHEMBL4224401UDZPQYIBSZTQFS-UHFFFAOYSA-NEthyl 2-(4-hydroxyphenylamino)-6-(2-methoxyphenylamino)-5-nitropyrimidine-4-carboxylate
Database identifiers
- PubChem CID
- 57474609
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 597
Related reactions
4 records
Compound notes
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