Basic information
- CAS
56563-18-9- Standard SMILES
CNC(=O)n1cc(F)c(=O)[nH]c1=O- InChIKey
CDACFMJJRHUMNA-UHFFFAOYSA-N- Molecular formula
- C6H6FN3O3
- Average molar mass
- 187.13 g/mol
- Monoisotopic mass
- 187.03931922
Names & identifiers
- Preferred name
- 1-Methylcarbamoyl-5-fluorouracil
- IUPAC
- 5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
- English name
- 1-Methylcarbamoyl-5-fluorouracil
- Molecular formula
- C6H6FN3O3
- Molecular weight
- 187.13
Names & synonyms
1-Methylcarbamoyl-5-fluorouracil56563-18-91(2H)-Pyrimidinecarboxamide, 5-fluoro-3,4-dihydro-N-methyl-2,4-dioxo-DTXSID102051205-Fluoro-3,4-dihydro-N-methyl-2,4-dioxo-1(2H)-pyrimidinecarboxamideRefChem:232017DTXCID10127611SCHEMBL117413605-fluoro-1-methylcarbamoyluracilCDACFMJJRHUMNA-UHFFFAOYSA-NDB-3015445-fluoro-N-methyl-2,4-dioxo-3,4-dihydropyrimidine-1(2H)-carboxamide
Database identifiers
- CAS
56563-18-9- PubChem CID
- 92452
- DTXSID
DTXSID10205120- Nikkaji
- J550.977G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
LogP-0.2
Physicochemical properties
- Melting point
- 226.5 °C · 226.5°C
- Density
- 1.3616 · 1.3616 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- Water Solubility
- 0.62 g/L · 0.62g/L(22 ºC)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
2 records
Compound notes
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