5-Fluorouracil
C₄H₃FN₂O₂·130.080 g/mol·CID 3385
IUPAC: 5-fluoro-1H-pyrimidine-2,4-dione
Also known as: fluorouracil, 51-21-8, Efudex, Fluracil, Fluoroblastin (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
130.080g/mol
Exact Mass
130.017855Da
Monoisotopic Mass
130.017855Da
XLogP
-0.9
Polar Surface Area
58.2Ų
Complexity
199
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
0
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 130.1 g/mol
MW ≤ 500
✓ -0.9
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH312Harmful in contact with skinH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritationH340May cause genetic defectsH360May damage fertility or the unborn childH412Harmful to aquatic life with long lasting effectsH341Suspected of causing genetic defectsH372Causes damage to organs through prolonged or repeated exposure
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₄H₃FN₂O₂
5-fluoro-(1,3-15N2)1H-pyrimidine-2,4-dione
CID 16213520 · 132.1 g/mol
5-fluoro-1H-imidazole-4-carboxylic acid
CID 582575 · 130.1 g/mol
6-fluoro-1H-pyrimidine-2,4-dione
CID 352912 · 130.1 g/mol
4-fluoro-1H-pyrazole-5-carboxylic acid
CID 55298956 · 130.1 g/mol
5-fluoro-1H-pyrazole-3-carboxylic acid
CID 130299149 · 130.1 g/mol
5-(18F)fluoro-1H-pyrimidine-2,4-dione
CID 450213 · 129.1 g/mol
5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 11182621 · 130.1 g/mol
1-fluoropyrimidine-2,4-dione
CID 14907381 · 130.1 g/mol