5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione

C11H15F3N2O3 — CID 66329932

IUPAC5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15F3N2O3/c1-2-8-6-16(10(18)15-9(8)17)4-3-5-19-7-11(12,13)14/h6H,2-5,7H2,1H3,(H,15,17,18)
InChIKeyMDYBFIQPHVQXMM-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.07
Rot. Bonds6

About 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione

5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (PubChem CID 66329932) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
PubChem CID66329932
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
SMILESCCc1cn(CCCOCC(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15F3N2O3/c1-2-8-6-16(10(18)15-9(8)17)4-3-5-19-7-11(12,13)14/h6H,2-5,7H2,1H3,(H,15,17,18)
InChIKeyMDYBFIQPHVQXMM-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.07
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
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
1-Ethoxymethyl-5-ethyluracil
CID 10262317
1-(2-Fluoroethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 14843055
5-(2,2,2-Trifluoroethyl)-uracil
CID 15276929
5-(1,2,2-trifluoroethyl)-1H-pyrimidine-2,4-dione
CID 19099900
4-(5-Trifluoromethyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-butyraldehyde
CID 58994197
1-Butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 58994205
5-(2-Fluoroethyl)-1-methylpyrimidine-2,4-dione
CID 139660900
5-(2,2-difluoroethyl)-1H-pyrimidine-2,4-dione
CID 151623303
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-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione (CID 66329932) is 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is CCc1cn(CCCOCC(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
The InChIKey is MDYBFIQPHVQXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-2-8-6-16(10(18)15-9(8)17)4-3-5-19-7-11(12,13)14/h6H,2-5,7H2,1H3,(H,15,17,18).
What are the key properties of 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione?
5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione has a molecular weight of 280.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66329932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).