SCHEMBL3762
C₄H₃FN₂O₂·130.080 g/mol·CID 14907381
IUPAC: 1-fluoropyrimidine-2,4-dione
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
130.080g/mol
Exact Mass
130.017855Da
Monoisotopic Mass
130.017855Da
XLogP
-0.4
Polar Surface Area
49.4Ų
Complexity
189
Formal Charge
0
H-Bond Donors
1
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
✓ -0.4
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
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-(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