5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione

C14H15FN2O3 — CID 115946414

IUPAC5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O3/c1-2-11-12(18)16-14(20)17(13(11)19)8-7-9-3-5-10(15)6-4-9/h3-6,19H,2,7-8H2,1H3,(H,16,18,20)
InChIKeyGUKBFALMAFDYHK-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.19
Rot. Bonds4

About 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione

5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione (PubChem CID 115946414) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
PubChem CID115946414
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C14H15FN2O3/c1-2-11-12(18)16-14(20)17(13(11)19)8-7-9-3-5-10(15)6-4-9/h3-6,19H,2,7-8H2,1H3,(H,16,18,20)
InChIKeyGUKBFALMAFDYHK-UHFFFAOYSA-N
XLogP1.19
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
5-ethyl-6-hydroxy-1-(2-methylsulfonylethyl)pyrimidine-2,4-dione
CID 112599612
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]pyrimidine-2,4-dione
CID 135562054
1-[2-(4-fluorophenyl)ethyl]-6-hydroxy-5-[(E)-piperidin-1-yliminomethyl]pyrimidine-2,4-dione
CID 135429763
methyl 3-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanoate
CID 112599658
5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
1-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947997
5-ethyl-6-hydroxy-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
CID 114619425
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione (CID 115946414) is 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(CCc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
The InChIKey is GUKBFALMAFDYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-11-12(18)16-14(20)17(13(11)19)8-7-9-3-5-10(15)6-4-9/h3-6,19H,2,7-8H2,1H3,(H,16,18,20).
What are the key properties of 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione?
5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione has a molecular weight of 278.28 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(4-fluorophenyl)ethyl]-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115946414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).