5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione

C13H13FN2O4 — CID 115946769

IUPAC5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(OC)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O4/c1-3-8-11(17)15-13(19)16(12(8)18)7-4-5-10(20-2)9(14)6-7/h4-6,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyHZDYFPOMVKCHKF-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.94
Rot. Bonds3

About 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione

5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione (PubChem CID 115946769) has the molecular formula C13H13FN2O4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
PubChem CID115946769
Molecular FormulaC13H13FN2O4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(OC)c(F)c2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13FN2O4/c1-3-8-11(17)15-13(19)16(12(8)18)7-4-5-10(20-2)9(14)6-7/h4-6,18H,3H2,1-2H3,(H,15,17,19)
InChIKeyHZDYFPOMVKCHKF-UHFFFAOYSA-N
XLogP0.94
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598234
1-(1,3-benzodioxol-5-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946521
1-(4-bromo-2-fluorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598971
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 107812190

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione (CID 115946769) is 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2ccc(OC)c(F)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
The InChIKey is HZDYFPOMVKCHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-3-8-11(17)15-13(19)16(12(8)18)7-4-5-10(20-2)9(14)6-7/h4-6,18H,3H2,1-2H3,(H,15,17,19).
What are the key properties of 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione?
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115946769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).