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

C13H13FN2O3 — CID 112598321

IUPAC5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(F)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O3/c1-3-9-11(17)15-13(19)16(12(9)18)10-5-4-8(14)6-7(10)2/h4-6,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyRNLUPSHFPHPVFJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.24
Rot. Bonds2

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

5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598321) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID112598321
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(F)cc2C)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O3/c1-3-9-11(17)15-13(19)16(12(9)18)10-5-4-8(14)6-7(10)2/h4-6,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyRNLUPSHFPHPVFJ-UHFFFAOYSA-N
XLogP1.24
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928
1-(2-bromo-4-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598976
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 115946414
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
5-ethyl-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3904395
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
4-(4-fluoro-2-methylphenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62897291

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione (CID 112598321) is 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2ccc(F)cc2C)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RNLUPSHFPHPVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-3-9-11(17)15-13(19)16(12(9)18)10-5-4-8(14)6-7(10)2/h4-6,18H,3H2,1-2H3,(H,15,17,19).
What are the key properties of 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione?
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 264.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).