5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester
Basic information
- CAS
343591-39-9- Standard SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(O)c(Br)c1- InChIKey
NUEQJWIHUBPGBF-UHFFFAOYSA-N- Molecular formula
- C14H14Br2N2O4
- Average molar mass
- 434.08 g/mol
- Monoisotopic mass
- 431.93203
Names & identifiers
- Preferred name
- 5-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester
- IUPAC
- ethyl 4-(3,5-dibromo-4-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Names & synonyms
343591-39-95-Pyrimidinecarboxylic acid, 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl esterOprea1_015886Oprea1_871020DTXSID301117021AKOS000530381AKOS002238591AKOS016088713AKOS016337758ST50101818SR-01000358009SR-01000358009-1
Show more names
Ethyl 4-(3,5-dibromo-4-hydroxyphenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylateEthyl 4-(3,5-dibromo-4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl 6-(3,5-dibromo-4-hydroxyphenyl)-2-hydroxy-4-methyl-3,6-dihydropyrimidine -5-carboxylate
Database identifiers
- CAS
343591-39-9- PubChem CID
- 3149451
- DTXSID
DTXSID301117021
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
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Compound notes
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