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Basic information
- Standard SMILES
CCOC(=O)c1cnc(S(C)(=O)=O)nc1C- InChIKey
ITBRKVUJMUAKAQ-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4S
- Average molar mass
- 244.27 g/mol
- Monoisotopic mass
- 244.05177804
Names & identifiers
- Preferred name
- Ethyl 4-methyl-2-(methylsulfonyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 4-methyl-2-methylsulfonylpyrimidine-5-carboxylate
Names & synonyms
509101-17-1ethyl 4-methyl-2-(methylsulfonyl)pyrimidine-5-carboxylateSCHEMBL4763594ethyl4-methyl-2-(methylsulfonyl)pyrimidine-5-carboxylateITBRKVUJMUAKAQ-UHFFFAOYSA-NDB-264993ethyl 2-methanesulfonyl-4-methylpyrimidine-5-carboxylateethyl 2-methansulfonyl-4-methylpyrimidine-5-carboxylate
Database identifiers
- PubChem CID
- 23020175
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 349
Related reactions
1 records
Compound notes
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