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

C9H11F3N2O3 — CID 66328173

IUPAC5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCOC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11F3N2O3/c1-2-6-5-14(8(16)13-7(6)15)3-4-17-9(10,11)12/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyHILRNVIQXPJTMA-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.64
Rot. Bonds4

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

5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 66328173) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
PubChem CID66328173
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCOC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C9H11F3N2O3/c1-2-6-5-14(8(16)13-7(6)15)3-4-17-9(10,11)12/h5H,2-4H2,1H3,(H,13,15,16)
InChIKeyHILRNVIQXPJTMA-UHFFFAOYSA-N
XLogP0.64
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Fluoroethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
CID 57399553
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
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
1-(2-Fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 14843055
1-Butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 58994205
5-(2-Fluoroethyl)-1-methylpyrimidine-2,4-dione
CID 139660900
1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione
CID 171628934
3-Ethyl-5-methyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 174884912
1-[2-(Ethenyloxy)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 71327942
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione (CID 66328173) is 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione is CCc1cn(CCOC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is HILRNVIQXPJTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-2-6-5-14(8(16)13-7(6)15)3-4-17-9(10,11)12/h5H,2-4H2,1H3,(H,13,15,16).
What are the key properties of 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione?
5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 252.19 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-(trifluoromethoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66328173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).