2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone

C14H13FN2O — CID 123157976

IUPAC2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone
SMILESCc1cnc(CC(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C14H13FN2O/c1-9-8-16-14(17-10(9)2)7-13(18)11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyMXXXTYCAESZSIY-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.66
Rot. Bonds3

About 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone

2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone (PubChem CID 123157976) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone
PubChem CID123157976
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone
SMILESCc1cnc(CC(=O)c2ccc(F)cc2)nc1C
InChIInChI=1S/C14H13FN2O/c1-9-8-16-14(17-10(9)2)7-13(18)11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyMXXXTYCAESZSIY-UHFFFAOYSA-N
XLogP2.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanone
CID 62549306
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-1-(4-fluorophenyl)ethanone
CID 66979195
2-(6-chloropyrazin-2-yl)-1-(4-fluorophenyl)ethanone
CID 18987668
7-ethyl-2-[2-(4-fluorophenyl)-2-oxoethyl]-5-methyl-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
CID 174662602
4-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzoic acid
CID 70007981
1-(4-fluorophenyl)-2-pyrimidin-4-ylethanone;4-methylpyrimidine
CID 159564004
1-(4-fluorophenyl)-2-[5-hydroxy-6-(2-hydroxyacetyl)-4-(hydroxymethyl)-3-pyridinyl]ethanone
CID 58360304
1-(4-fluorophenyl)-2-(2,3,6-trimethylphenoxy)ethanone
CID 43224754
1-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373145
1-(4-ethylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373157

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone (CID 123157976) is 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone is Cc1cnc(CC(=O)c2ccc(F)cc2)nc1C.
What is the InChIKey of 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone?
The InChIKey is MXXXTYCAESZSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-8-16-14(17-10(9)2)7-13(18)11-3-5-12(15)6-4-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone?
2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone has a molecular weight of 244.27 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylpyrimidin-2-yl)-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 123157976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).