1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one

C14H13FN2O — CID 134524902

IUPAC1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(F)cc1-c1ncccn1
InChIInChI=1S/C14H13FN2O/c1-9(2)13(18)11-5-4-10(15)8-12(11)14-16-6-3-7-17-14/h3-9H,1-2H3
InChIKeyUEVKFCKYWFAPMX-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.12
Rot. Bonds3

About 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one

1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one (PubChem CID 134524902) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one
PubChem CID134524902
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc(F)cc1-c1ncccn1
InChIInChI=1S/C14H13FN2O/c1-9(2)13(18)11-5-4-10(15)8-12(11)14-16-6-3-7-17-14/h3-9H,1-2H3
InChIKeyUEVKFCKYWFAPMX-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyrimidin-2-ylphenyl)ethanone
CID 90250687
N-ethyl-4-fluoro-N-[(2S)-1-[(5-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrimidin-2-ylbenzamide
CID 157137244
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
5-cyano-2-(triazol-2-yl)benzoic acid;ethane;4-fluoro-2-pyrimidin-2-ylbenzoic acid
CID 145383285
4,5-difluoro-2-pyrimidin-2-ylbenzoic acid
CID 134279149
1-(2-fluoro-4-pyridinyl)-2-methylpropan-1-one
CID 89195096
N-ethyl-4-fluoro-N-[2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxy]hexan-3-yl]-2-pyrimidin-2-ylbenzamide
CID 139504593
4-fluoro-2-(2-methylsulfanylphenyl)benzoic acid
CID 53226362
1-(2,4-difluorophenyl)-2-methylpropan-1-one;1-(2-fluorophenyl)-2-methylpropan-1-one;1-(3-fluorophenyl)-2-methylpropan-1-one;1-(4-fluorophenyl)-2-methylpropan-1-one
CID 167672992
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzamide
CID 115745693
2-[2-(2-methylpropanoyl)phenyl]benzoic acid
CID 21063785

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one (CID 134524902) is 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc(F)cc1-c1ncccn1.
What is the InChIKey of 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one?
The InChIKey is UEVKFCKYWFAPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9(2)13(18)11-5-4-10(15)8-12(11)14-16-6-3-7-17-14/h3-9H,1-2H3.
What are the key properties of 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one?
1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one has a molecular weight of 244.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-pyrimidin-2-ylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 134524902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).