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

C7H7F3N2O2 — CID 20731843

IUPAC1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-2-12-3-4(7(8,9)10)5(13)11-6(12)14/h3H,2H2,1H3,(H,11,13,14)
InChIKeyMFTKJHOQCYNKQC-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.58
Rot. Bonds1

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

1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20731843) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20731843
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCCn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C7H7F3N2O2/c1-2-12-3-4(7(8,9)10)5(13)11-6(12)14/h3H,2H2,1H3,(H,11,13,14)
InChIKeyMFTKJHOQCYNKQC-UHFFFAOYSA-N
XLogP0.58
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione (CID 20731843) is 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione is CCn1cc(C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is MFTKJHOQCYNKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-2-12-3-4(7(8,9)10)5(13)11-6(12)14/h3H,2H2,1H3,(H,11,13,14).
What are the key properties of 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione?
1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 208.14 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20731843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).