1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C8H9F3N2O2 — CID 55028146

IUPAC1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-2-12-4-3-6(14)13(7(12)15)5-8(9,10)11/h3-4H,2,5H2,1H3
InChIKeyUCCJLKWJGBGKRV-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.59
Rot. Bonds2

About 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 55028146) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID55028146
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CC(F)(F)F)c1=O
InChIInChI=1S/C8H9F3N2O2/c1-2-12-4-3-6(14)13(7(12)15)5-8(9,10)11/h3-4H,2,5H2,1H3
InChIKeyUCCJLKWJGBGKRV-UHFFFAOYSA-N
XLogP0.59
TPSA44.00 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 ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 55028146) is 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(CC(F)(F)F)c1=O.
What is the InChIKey of 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is UCCJLKWJGBGKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-2-12-4-3-6(14)13(7(12)15)5-8(9,10)11/h3-4H,2,5H2,1H3.
What are the key properties of 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 222.17 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55028146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).