2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

C8H9F3N2O2 — CID 138756307

IUPAC2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCOc1nc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H9F3N2O2/c1-3-15-7-12-5(8(9,10)11)4-6(14)13(7)2/h4H,3H2,1-2H3
InChIKeyPSNZHDMOYXEWDG-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.20
Rot. Bonds2

About 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one

2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 138756307) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID138756307
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESCCOc1nc(C(F)(F)F)cc(=O)n1C
InChIInChI=1S/C8H9F3N2O2/c1-3-15-7-12-5(8(9,10)11)4-6(14)13(7)2/h4H,3H2,1-2H3
InChIKeyPSNZHDMOYXEWDG-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one (CID 138756307) is 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is CCOc1nc(C(F)(F)F)cc(=O)n1C.
What is the InChIKey of 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is PSNZHDMOYXEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-3-15-7-12-5(8(9,10)11)4-6(14)13(7)2/h4H,3H2,1-2H3.
What are the key properties of 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one?
2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 222.17 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 138756307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).