2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

C13H11F3N2O2 — CID 103241251

IUPAC2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cccc(C(F)(F)F)c2)cc(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-2-10-17-11(19)7-12(18-10)20-9-5-3-4-8(6-9)13(14,15)16/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyFRFRVGYOIQOKJJ-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.14
Rot. Bonds3

About 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 103241251) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
PubChem CID103241251
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cccc(C(F)(F)F)c2)cc(=O)[nH]1
InChIInChI=1S/C13H11F3N2O2/c1-2-10-17-11(19)7-12(18-10)20-9-5-3-4-8(6-9)13(14,15)16/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyFRFRVGYOIQOKJJ-UHFFFAOYSA-N
XLogP3.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 6-methyl-2-((m-tolyloxy)methyl)-
CID 135406787
2,6-Dimethyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-ol
CID 135419007
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
2-[2-(4-Methoxy-phenyl)-ethyl]-6-trifluoromethyl-pyrimidin-4-ol
CID 136048720
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 75535521
2-[2-(3-propan-2-yloxyphenyl)ethenyl]-1H-pyrimidin-6-one
CID 91941408
2-(2-Fluoro-5-methoxyphenyl)-4,6-dihydroxypyrimidine
CID 21473028
(6,6-difluoro-5-methylhex-5-enyl) 4-(3-methylphenoxy)-6-oxo-1H-pyrimidine-2-carboxylate
CID 69180955
2-[6-oxo-4-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-yl]acetamide
CID 137045562
2-[5-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]acetamide
CID 137078826
4-amino-5-[(Z)-2-aminoethenyl]-2-[(E)-2-[3,4-bis(difluoromethoxy)phenyl]ethenyl]-1H-pyrimidin-6-one
CID 138656027
4-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 141520860

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (CID 103241251) is 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is CCc1nc(Oc2cccc(C(F)(F)F)c2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is FRFRVGYOIQOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-2-10-17-11(19)7-12(18-10)20-9-5-3-4-8(6-9)13(14,15)16/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).