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

C13H13FN2O2 — CID 136938663

IUPAC4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C13H13FN2O2/c1-3-9-7-12(17)16-13(15-9)8-4-5-10(14)11(6-8)18-2/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeySFHJNVUOJZPHFK-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.15
Rot. Bonds3

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

4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 136938663) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID136938663
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(F)c(OC)c2)n1
InChIInChI=1S/C13H13FN2O2/c1-3-9-7-12(17)16-13(15-9)8-4-5-10(14)11(6-8)18-2/h4-7H,3H2,1-2H3,(H,15,16,17)
InChIKeySFHJNVUOJZPHFK-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136889657
2-(4-fluoro-3-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136889663
4-cyclopentyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 136889687
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185
2-(4-fluoro-3-methoxyphenyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136938664
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1,3-thiazole
CID 107923260
2-(4-fluoro-3-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 135985118
5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136889677
2-(3-chloro-4-hydroxyphenyl)-4-ethyl-1H-pyrimidin-6-one
CID 135974715
8-(4-fluoro-3-methoxyphenyl)-3-methyl-7H-purine-2,6-dione
CID 115765308
4-ethyl-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
CID 137012354
(E)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 136731181

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one (CID 136938663) is 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(F)c(OC)c2)n1.
What is the InChIKey of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is SFHJNVUOJZPHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-3-9-7-12(17)16-13(15-9)8-4-5-10(14)11(6-8)18-2/h4-7H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one?
4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 248.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-fluoro-3-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136938663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).