5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C14H13F3N2O2 — CID 135996623

IUPAC5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2ccccc2OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H13F3N2O2/c1-3-9-8(2)18-12(19-13(9)20)10-6-4-5-7-11(10)21-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyIYVYUFCWIZRJSX-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.21
Rot. Bonds3

About 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 135996623) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID135996623
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc(-c2ccccc2OC(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H13F3N2O2/c1-3-9-8(2)18-12(19-13(9)20)10-6-4-5-7-11(10)21-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyIYVYUFCWIZRJSX-UHFFFAOYSA-N
XLogP3.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996619
4-chloro-5-ethyl-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidine
CID 61000690
4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 106514778
5-iodo-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 66313546
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
6-methyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091598
6-methyl-3,5-bis[2-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
CID 133091442
2-[4-fluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552407
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5,6-dimethyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazine-2-thione
CID 106514817
3-methyl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 162578810
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 135996623) is 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is CCc1c(C)nc(-c2ccccc2OC(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is IYVYUFCWIZRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-3-9-8(2)18-12(19-13(9)20)10-6-4-5-7-11(10)21-14(15,16)17/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 298.26 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135996623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).