5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione

C11H8F2N2O4 — CID 112601269

IUPAC5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(F)c(-n2c(O)c(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C11H8F2N2O4/c1-19-5-2-3-6(12)7(4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyVBJPEUFIMSAZIV-UHFFFAOYSA-N
MW270.19 g/mol
LogP0.52
Rot. Bonds2

About 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione

5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 112601269) has the molecular formula C11H8F2N2O4 and a molecular weight of 270.19 g/mol. Its IUPAC name is 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID112601269
Molecular FormulaC11H8F2N2O4
Molecular Weight270.19 g/mol
Exact Mass270.05
IUPAC Name5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCOc1ccc(F)c(-n2c(O)c(F)c(=O)[nH]c2=O)c1
InChIInChI=1S/C11H8F2N2O4/c1-19-5-2-3-6(12)7(4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyVBJPEUFIMSAZIV-UHFFFAOYSA-N
XLogP0.52
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
5-acetyl-3-(2-fluoro-5-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 80643071
1-(2,4-dibromophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599815
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
2-fluoro-5-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)benzonitrile
CID 112600343
5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 4907666
5-fluoro-6-hydroxy-1-(2,4,6-trichlorophenyl)pyrimidine-2,4-dione
CID 112599156
3-(2-fluoro-5-methoxyphenyl)-4-methyl-1H-imidazole-2-thione
CID 81335122

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione (CID 112601269) is 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione is COc1ccc(F)c(-n2c(O)c(F)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is VBJPEUFIMSAZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O4/c1-19-5-2-3-6(12)7(4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18).
What are the key properties of 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 270.19 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112601269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).