5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one

C13H13FN2O3 — CID 107922600

IUPAC5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ccc(F)c(OC)c2)[nH]c1=O
InChIInChI=1S/C13H13FN2O3/c1-3-8-12(17)15-11(16-13(8)18)7-4-5-9(14)10(6-7)19-2/h4-6H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyZQYSMHYAULSLNJ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.85
Rot. Bonds3

About 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one

5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 107922600) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID107922600
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(-c2ccc(F)c(OC)c2)[nH]c1=O
InChIInChI=1S/C13H13FN2O3/c1-3-8-12(17)15-11(16-13(8)18)7-4-5-9(14)10(6-7)19-2/h4-6H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyZQYSMHYAULSLNJ-UHFFFAOYSA-N
XLogP1.85
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 107922600) is 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one is CCc1c(O)nc(-c2ccc(F)c(OC)c2)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is ZQYSMHYAULSLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-3-8-12(17)15-11(16-13(8)18)7-4-5-9(14)10(6-7)19-2/h4-6H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 264.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-fluoro-3-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 107922600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).