5-Fluorouracil-15N2
C₄H₃FN₂O₂·132.060 g/mol·CID 16213520
IUPAC: 5-fluoro-(1,3-15N2)1H-pyrimidine-2,4-dione
Also known as: RefChem:536015, 685-855-3, 68941-95-7, 5-fluoro-(1,3-15N2)1H-pyrimidine-2,4-dione, 5-Fluoropyrimidine-2,4(1H,3H)-dione-1,3-15N2 (+10 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
132.060g/mol
Exact Mass
132.011925Da
Monoisotopic Mass
132.011925Da
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)
✓ 132.1 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
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)/i6+1,7+1
Isomers8 compounds with formula C₄H₃FN₂O₂
5-fluoro-1H-pyrimidine-2,4-dione
CID 3385 · 130.1 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