1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone

C14H13FN2O — CID 116895335

IUPAC1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H13FN2O/c1-8-6-11(4-5-12(8)15)13-7-9(2)16-14(17-13)10(3)18/h4-7H,1-3H3
InChIKeyGUPQZNUISSOZSH-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.10
Rot. Bonds2

About 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone

1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone (PubChem CID 116895335) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
PubChem CID116895335
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(-c2ccc(F)c(C)c2)n1
InChIInChI=1S/C14H13FN2O/c1-8-6-11(4-5-12(8)15)13-7-9(2)16-14(17-13)10(3)18/h4-7H,1-3H3
InChIKeyGUPQZNUISSOZSH-UHFFFAOYSA-N
XLogP3.10
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]ethanone
CID 116895367
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
1-[2-(4-fluoro-3-methylphenyl)phenyl]ethanone
CID 54912273
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
4-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidine-2-carboxamide
CID 116897045
1-[4-(4,6-dimethyl-2-pyridinyl)-2-methylphenyl]ethanone
CID 155313810
1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543606
2,4-dichloro-6-(4-fluoro-3-methylphenyl)pyrimidine
CID 82299783
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 116967907
[6-(4-fluoro-3-methylphenyl)pyrazin-2-yl]methanamine
CID 83849216
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone (CID 116895335) is 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone is CC(=O)c1nc(C)cc(-c2ccc(F)c(C)c2)n1.
What is the InChIKey of 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone?
The InChIKey is GUPQZNUISSOZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-8-6-11(4-5-12(8)15)13-7-9(2)16-14(17-13)10(3)18/h4-7H,1-3H3.
What are the key properties of 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone?
1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone has a molecular weight of 244.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluoro-3-methylphenyl)-6-methylpyrimidin-2-yl]ethanone is sourced from PubChem (CID 116895335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).