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

C11H8F2N2O3 — CID 112599069

IUPAC5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)c(F)c1
InChIInChI=1S/C11H8F2N2O3/c1-5-2-3-7(6(12)4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyVSXYMLJQMONVFW-UHFFFAOYSA-N
MW254.19 g/mol
LogP0.82
Rot. Bonds1

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

5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 112599069) has the molecular formula C11H8F2N2O3 and a molecular weight of 254.19 g/mol. Its IUPAC name is 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID112599069
Molecular FormulaC11H8F2N2O3
Molecular Weight254.19 g/mol
Exact Mass254.05
IUPAC Name5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)c(F)c1
InChIInChI=1S/C11H8F2N2O3/c1-5-2-3-7(6(12)4-5)15-10(17)8(13)9(16)14-11(15)18/h2-4,17H,1H3,(H,14,16,18)
InChIKeyVSXYMLJQMONVFW-UHFFFAOYSA-N
XLogP0.82
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
1-(4-bromo-2,5-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107608492
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
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
1-(2,6-dibromo-4-methylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599158
1-(2-fluoro-4-nitrophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 115947678
1-(4-bromo-2,3-dichlorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 107795625
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione (CID 112599069) is 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)c(F)c1.
What is the InChIKey of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is VSXYMLJQMONVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3/c1-5-2-3-7(6(12)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-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 254.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112599069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).