2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone

C14H13FN2O2 — CID 102949923

IUPAC2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(F)cc2C)ncn1
InChIInChI=1S/C14H13FN2O2/c1-9-5-11(15)4-3-10(9)6-13(18)12-7-14(19-2)17-8-16-12/h3-5,7-8H,6H2,1-2H3
InChIKeyVMDOXNNJLQPVLR-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.36
Rot. Bonds4

About 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone

2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone (PubChem CID 102949923) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
PubChem CID102949923
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone
SMILESCOc1cc(C(=O)Cc2ccc(F)cc2C)ncn1
InChIInChI=1S/C14H13FN2O2/c1-9-5-11(15)4-3-10(9)6-13(18)12-7-14(19-2)17-8-16-12/h3-5,7-8H,6H2,1-2H3
InChIKeyVMDOXNNJLQPVLR-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone (CID 102949923) is 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone is COc1cc(C(=O)Cc2ccc(F)cc2C)ncn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
The InChIKey is VMDOXNNJLQPVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-5-11(15)4-3-10(9)6-13(18)12-7-14(19-2)17-8-16-12/h3-5,7-8H,6H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone?
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-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-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanone is sourced from PubChem (CID 102949923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).