2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone

C16H17FN2O3 — CID 95923219

IUPAC2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
SMILESCCc1nc(COC)cc(OCC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O3/c1-3-15-18-13(9-21-2)8-16(19-15)22-10-14(20)11-4-6-12(17)7-5-11/h4-8H,3,9-10H2,1-2H3
InChIKeyNFZWSOMPRQGXPX-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.59
Rot. Bonds7

About 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone

2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone (PubChem CID 95923219) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
PubChem CID95923219
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
SMILESCCc1nc(COC)cc(OCC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C16H17FN2O3/c1-3-15-18-13(9-21-2)8-16(19-15)22-10-14(20)11-4-6-12(17)7-5-11/h4-8H,3,9-10H2,1-2H3
InChIKeyNFZWSOMPRQGXPX-UHFFFAOYSA-N
XLogP2.59
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-6-ethylpyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone
CID 95922537
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
1-[4-(4-fluorophenyl)phenyl]-2-methoxyethanone
CID 146011430
2-[(4-bromo-2-pyridinyl)oxy]-1-(4-fluorophenyl)ethanone
CID 118184547
2-(4-fluorophenoxy)-1-(4-methylphenyl)ethanone
CID 14970240
1-(4-fluorophenyl)-2-[4-(2-methoxyethyl)phenoxy]ethanone
CID 43413939
triethyl-[2-(4-fluorophenyl)-2-oxoethyl]azanium
CID 19862916
2-butan-2-yloxy-1-(4-fluorophenyl)ethanone
CID 60902739
2-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyphenoxy]-1-(4-methylphenyl)ethanone
CID 46052889
1-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43224754
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
1-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)ethanone
CID 60624163

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone (CID 95923219) is 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone is CCc1nc(COC)cc(OCC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
The InChIKey is NFZWSOMPRQGXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-3-15-18-13(9-21-2)8-16(19-15)22-10-14(20)11-4-6-12(17)7-5-11/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone?
2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone has a molecular weight of 304.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-6-(methoxymethyl)pyrimidin-4-yl]oxy-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 95923219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).