2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C8H9F3N2O2 — CID 79376478

IUPAC2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5-3-6(14)13(4-8(9,10)11)7(12-5)15-2/h3H,4H2,1-2H3
InChIKeyJXKPCFTUIAAQSJ-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.12
Rot. Bonds2

About 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 79376478) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID79376478
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC(F)(F)F
InChIInChI=1S/C8H9F3N2O2/c1-5-3-6(14)13(4-8(9,10)11)7(12-5)15-2/h3H,4H2,1-2H3
InChIKeyJXKPCFTUIAAQSJ-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethoxy-3-methyl-6-(trifluoromethyl)pyrimidin-4(3h)-one
CID 138756307
3-(2-Methylpropyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 21510761
3-Pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510762
3-Propan-2-yl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510775
3-Propyl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510786
3-(2-Methoxyethyl)-6-(trifluoromethyl)pyrimidin-4-one
CID 21510787
3-[(E)-but-2-enyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 21510801
3-Prop-2-enyl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510804
5-Fluoro-3-prop-2-enyl-6-(trifluoromethyl)pyrimidin-4-one
CID 21510808
1-Methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-olate
CID 22974786
3-But-2-enyl-6-(trifluoromethyl)pyrimidin-4-one
CID 54128429
3-Ethyl-2-methoxy-5-methyl-6-(trifluoromethyl)pyrimidin-4-one
CID 68985517

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 79376478) is 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is COc1nc(C)cc(=O)n1CC(F)(F)F.
What is the InChIKey of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is JXKPCFTUIAAQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5-3-6(14)13(4-8(9,10)11)7(12-5)15-2/h3H,4H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 222.17 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 79376478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).