5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione

C10H13F3N2O3 — CID 66330917

IUPAC5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13F3N2O3/c1-2-7-5-15(9(17)14-8(7)16)3-4-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,16,17)
InChIKeyOHTFXNYOJVMRGV-UHFFFAOYSA-N
MW266.22 g/mol
LogP0.68
Rot. Bonds5

About 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione

5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 66330917) has the molecular formula C10H13F3N2O3 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID66330917
Molecular FormulaC10H13F3N2O3
Molecular Weight266.22 g/mol
Exact Mass266.09
IUPAC Name5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13F3N2O3/c1-2-7-5-15(9(17)14-8(7)16)3-4-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,16,17)
InChIKeyOHTFXNYOJVMRGV-UHFFFAOYSA-N
XLogP0.68
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-Fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
CID 57399553
1-Ethoxymethyl-5-ethyluracil
CID 10262317
3-methyl-5-{2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl}pyrimidine-2,4(1H,3H)-dione
CID 56877860
5-(2-Fluoroethyl)-1-methylpyrimidine-2,4-dione
CID 139660900
Ethyl 2-[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]acetate
CID 169084304
3-Ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 174884912
5-methyl-1-[(1R)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 1519564
5-methyl-1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 1519565
5-Methyl-1-[1-(2,2,3,3-tetrafluoropropoxy)ethyl]pyrimidine-2,4-dione
CID 4920076
[3-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-1,1,1-trifluoropropan-2-yl]oxymethylphosphonic acid
CID 11610136
5-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 61517592
1,3-Dimethyl-5-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pyrimidine-2,4-dione
CID 61526469

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione (CID 66330917) is 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione is CCc1cn(CCOCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is OHTFXNYOJVMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O3/c1-2-7-5-15(9(17)14-8(7)16)3-4-18-6-10(11,12)13/h5H,2-4,6H2,1H3,(H,14,16,17).
What are the key properties of 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.22 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66330917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).