2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate

C10H11F3N2O5 — CID 15954382

IUPAC2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11F3N2O5/c1-6(16)20-3-2-19-5-15-4-7(10(11,12)13)8(17)14-9(15)18/h4H,2-3,5H2,1H3,(H,14,17,18)
InChIKeyAQDYCUIQNJMMLP-UHFFFAOYSA-N
MW296.20 g/mol
LogP0.09
Rot. Bonds5

About 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate

2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate (PubChem CID 15954382) has the molecular formula C10H11F3N2O5 and a molecular weight of 296.20 g/mol. Its IUPAC name is 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate.

Molecular Properties

Compound Name2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate
PubChem CID15954382
Molecular FormulaC10H11F3N2O5
Molecular Weight296.20 g/mol
Exact Mass296.06
IUPAC Name2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate
SMILESCC(=O)OCCOCn1cc(C(F)(F)F)c(=O)[nH]c1=O
InChIInChI=1S/C10H11F3N2O5/c1-6(16)20-3-2-19-5-15-4-7(10(11,12)13)8(17)14-9(15)18/h4H,2-3,5H2,1H3,(H,14,17,18)
InChIKeyAQDYCUIQNJMMLP-UHFFFAOYSA-N
XLogP0.09
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate?
The IUPAC name of 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate (CID 15954382) is 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate.
What is the SMILES notation for 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate?
The canonical SMILES for 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate is CC(=O)OCCOCn1cc(C(F)(F)F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate?
The InChIKey is AQDYCUIQNJMMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O5/c1-6(16)20-3-2-19-5-15-4-7(10(11,12)13)8(17)14-9(15)18/h4H,2-3,5H2,1H3,(H,14,17,18).
What are the key properties of 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate?
2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate has a molecular weight of 296.20 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-dioxo-5-(trifluoromethyl)pyrimidin-1-yl]methoxy]ethyl acetate is sourced from PubChem (CID 15954382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).