2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone

C14H13FN2O2 — CID 113453750

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
SMILESCOc1cccc(CC(=O)c2ncc(C)cn2)c1F
InChIInChI=1S/C14H13FN2O2/c1-9-7-16-14(17-8-9)11(18)6-10-4-3-5-12(19-2)13(10)15/h3-5,7-8H,6H2,1-2H3
InChIKeyCHEQKNMDJAJADD-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.36
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone

2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone (PubChem CID 113453750) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
PubChem CID113453750
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
SMILESCOc1cccc(CC(=O)c2ncc(C)cn2)c1F
InChIInChI=1S/C14H13FN2O2/c1-9-7-16-14(17-8-9)11(18)6-10-4-3-5-12(19-2)13(10)15/h3-5,7-8H,6H2,1-2H3
InChIKeyCHEQKNMDJAJADD-UHFFFAOYSA-N
XLogP2.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105128433
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
2-(2-fluoro-3-methoxyphenyl)-1-(2H-triazol-4-yl)ethanone
CID 104793521
1-(2-fluoro-3-methoxyphenyl)-3-(4-methylphenyl)propan-2-one
CID 104793411
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
1-(3,5-dimethylphenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793415
1-(2-fluoro-3-methoxyphenyl)-3-methoxypropan-2-one
CID 104793398
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
2-(2-fluoro-3-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 104793222
1-(2-aminophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 113453735

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone (CID 113453750) is 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone is COc1cccc(CC(=O)c2ncc(C)cn2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone?
The InChIKey is CHEQKNMDJAJADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-7-16-14(17-8-9)11(18)6-10-4-3-5-12(19-2)13(10)15/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone?
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone has a molecular weight of 260.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone is sourced from PubChem (CID 113453750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).