Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate
Basic information
- CAS
65905-96-6- Standard SMILES
COC(=O)C1(F)C(=O)NC(=O)NC1OC- InChIKey
CMZYDQKKDNXWKW-UHFFFAOYSA-N- Molecular formula
- C7H9FN2O5
- Average molar mass
- 220.16 g/mol
- Monoisotopic mass
- 220.04954955
Names & identifiers
- Preferred name
- Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate
- IUPAC
- methyl 5-fluoro-4-methoxy-2,6-dioxo-1,3-diazinane-5-carboxylate
Names & synonyms
65905-96-6Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylateNSC367428NSC 367428MLS003171239CHEMBL1970585SCHEMBL11233534DTXSID80984379NSC-367428NCI60_003382SMR001875145DS-011462
Show more names
5-Pyrimidinecarboxylic acid,6-dioxo-, methyl estermethyl 5-fluoro-4-methoxy-2,6-dioxo-hexahydropyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2, 6-dioxo-, methyl ester5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy- 2,6-dioxo-, methyl esterMethyl 5-fluoro-2,6-dihydroxy-4-methoxy-4,5-dihydropyrimidine-5-carboxylate
Database identifiers
- CAS
65905-96-6- PubChem CID
- 339703
- DTXSID
DTXSID80984379- ChEMBL
CHEMBL1970585
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 321
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Compound notes
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