SCHEMBL10017187
C₄H₃FN₂O₂·129.080 g/mol·CID 450213
IUPAC: 5-(18F)fluoro-1H-pyrimidine-2,4-dione
Also known as: MOLI000590, MOLI001223, MOLI001293, 5-(fluoro-18F)pyrimidine-2,4(1H,3H)-dione
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
129.080g/mol
Exact Mass
129.020390Da
Monoisotopic Mass
129.020390Da
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)
✓ 129.1 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
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)/i5-1
Isomers8 compounds with formula C₄H₃FN₂O₂
5-fluoro-1H-pyrimidine-2,4-dione
CID 3385 · 130.1 g/mol
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-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 11182621 · 130.1 g/mol
1-fluoropyrimidine-2,4-dione
CID 14907381 · 130.1 g/mol