Basic information
- CAS
71861-76-2- Standard SMILES
CC(=O)n1cc(F)c(=O)n(C(=O)c2ccccc2C)c1=O- InChIKey
DRXHAKVGNKHFMB-UHFFFAOYSA-N- Molecular formula
- C14H11FN2O4
- Average molar mass
- 290.25 g/mol
- Monoisotopic mass
- 290.070285
Names & identifiers
- Preferred name
- 1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dione
- English name
- 1-acetyl-3,2-toluyl-5-fluorouracil
- Molecular formula
- C14H11FN2O4
- Molecular weight
- 290.25
Names & synonyms
71861-76-21-Acetyl-3,2-toluyl-5-fluorouracil1-acetyl-3-O-toluyl-5-fluorouracilDTXSID002221292,4(1H,3H)-Pyrimidinedione, 1-acetyl-5-fluoro-3-(2-methylbenzoyl)-RefChem:907459DTXCID501446201-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4(1H,3H)-pyrimidinedione1-acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4-dioneAtofluding1-Acetyl-5-fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dioneA-OT
Show more names
1 Acetyl 3 o toluyl 5 fluorouracil,1Acetyl3otoluyl5fluorouracil
BRN 55984801-Acetyl-5-fluoro-3-(2-methylphenyl)uracilN(sub 1)-Acetyl-N(sub 3)-o-toluyl-5-fluorouracil1-Acetyl-5-fluoro-3-(2-methylbenzoyl)-2,4-(1H,3H)-pyrimidinedioneA-?OT-?FuSCHEMBL475623CHEMBL282865orb1710656
Database identifiers
- CAS
71861-76-2- PubChem CID
- 126342
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Melting point
- 141 · 141-143 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 408.8 · 408.8±55.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- -5.29 · -5.29±0.40(Predicted)
Chemistry & industry
Applications
Uses1-Acetyl-3-o-toluyl-5-fluorouracil is a potent antitumor agent and a 5-fluorouracil analog.
Suppliers6 total
MedChemexpress LLC021-58955995 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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