5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C8H9F3N2O2 — CID 66329539

IUPAC5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9F3N2O2/c1-2-5-3-13(4-8(9,10)11)7(15)12-6(5)14/h3H,2,4H2,1H3,(H,12,14,15)
InChIKeySVQOGGKDPMJGLV-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.66
Rot. Bonds2

About 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 66329539) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID66329539
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9F3N2O2/c1-2-5-3-13(4-8(9,10)11)7(15)12-6(5)14/h3H,2,4H2,1H3,(H,12,14,15)
InChIKeySVQOGGKDPMJGLV-UHFFFAOYSA-N
XLogP0.66
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 66329539) is 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CCc1cn(CC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is SVQOGGKDPMJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-2-5-3-13(4-8(9,10)11)7(15)12-6(5)14/h3H,2,4H2,1H3,(H,12,14,15).
What are the key properties of 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 222.17 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).