5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione

C10H11F3N2O4 — CID 80649448

IUPAC5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCOC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H11F3N2O4/c1-6(16)7-5-15(3-4-19-10(11,12)13)9(18)14(2)8(7)17/h5H,3-4H2,1-2H3
InChIKeyBSEHNFYQENSRCT-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.29
Rot. Bonds4

About 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione

5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 80649448) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID80649448
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESCC(=O)c1cn(CCOC(F)(F)F)c(=O)n(C)c1=O
InChIInChI=1S/C10H11F3N2O4/c1-6(16)7-5-15(3-4-19-10(11,12)13)9(18)14(2)8(7)17/h5H,3-4H2,1-2H3
InChIKeyBSEHNFYQENSRCT-UHFFFAOYSA-N
XLogP0.29
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]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

Related Compounds

5-Ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 66328173
5-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 66330917
5-Acetyl-3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 80501135
5-acetyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-2,4-dione
CID 80643429
5-Acetyl-3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 80648659
5-Acetyl-1-(2,2-difluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80649445
5-Acetyl-3-methyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 80649874
5-Acetyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
CID 80649965
5-Acetyl-1-(2-fluoroethyl)-3-methylpyrimidine-2,4-dione
CID 80694434
5-Acetyl-1-(3-fluoropropyl)-3-methylpyrimidine-2,4-dione
CID 81106376
1,3-Dimethyl-5-(2,2,2-trifluoroacetyl)pyrimidine-2,4-dione
CID 81430473
1,3-Dimethyl-5-[2-(2,2,2-trifluoroethoxy)acetyl]pyrimidine-2,4-dione
CID 103206504

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione (CID 80649448) is 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione is CC(=O)c1cn(CCOC(F)(F)F)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is BSEHNFYQENSRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-6(16)7-5-15(3-4-19-10(11,12)13)9(18)14(2)8(7)17/h5H,3-4H2,1-2H3.
What are the key properties of 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 280.20 g/mol, XLogP of 0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 80649448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).