4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

C12H8F4N2O — CID 106514596

IUPAC4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCc1ccc(F)cc1-c1cc(C(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C12H8F4N2O/c1-6-2-3-7(13)4-8(6)9-5-10(12(14,15)16)18-11(19)17-9/h2-5H,1H3,(H,17,18,19)
InChIKeyXVGLJNKOBLYOBO-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.90
Rot. Bonds1

About 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one

4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (PubChem CID 106514596) has the molecular formula C12H8F4N2O and a molecular weight of 272.20 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
PubChem CID106514596
Molecular FormulaC12H8F4N2O
Molecular Weight272.20 g/mol
Exact Mass272.06
IUPAC Name4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
SMILESCc1ccc(F)cc1-c1cc(C(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C12H8F4N2O/c1-6-2-3-7(13)4-8(6)9-5-10(12(14,15)16)18-11(19)17-9/h2-5H,1H3,(H,17,18,19)
InChIKeyXVGLJNKOBLYOBO-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563197
4-(4-iodophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 125492218
4-(2,5-difluorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 106517225
4-(2,3-difluoro-4-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 107516800
4-(3-chloro-5-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 106521131
4-(5-fluoro-2-methylphenyl)-2-propyl-1H-pyrimidin-6-one
CID 136691943
4-(1-methylpyrrol-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91927049
4-(2-chloro-4-fluorophenyl)-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 106520959
4-(3-nitrophenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 91926987
4-(2-aminopropan-2-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 83849650
3-(5-fluoro-2-methylphenyl)-1H-pyridazine-6-thione
CID 106514577
6-(5-fluoro-2-methylphenyl)pyridine-3-carboxylic acid
CID 53222880

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one (CID 106514596) is 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is Cc1ccc(F)cc1-c1cc(C(F)(F)F)[nH]c(=O)n1.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
The InChIKey is XVGLJNKOBLYOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2O/c1-6-2-3-7(13)4-8(6)9-5-10(12(14,15)16)18-11(19)17-9/h2-5H,1H3,(H,17,18,19).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one?
4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one has a molecular weight of 272.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-6-(trifluoromethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106514596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).