2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one

C13H13FN2O2 — CID 103241893

IUPAC2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2ccc(F)cc2C)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-3-11-15-12(17)7-13(16-11)18-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyRPOIYFQAFZAACY-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.57
Rot. Bonds3

About 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one

2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241893) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID103241893
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2ccc(F)cc2C)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O2/c1-3-11-15-12(17)7-13(16-11)18-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeyRPOIYFQAFZAACY-UHFFFAOYSA-N
XLogP2.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one (CID 103241893) is 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one is CCc1nc(Oc2ccc(F)cc2C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is RPOIYFQAFZAACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-11-15-12(17)7-13(16-11)18-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).