(2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

C11H15FN2O5 — CID 121459556

IUPAC(2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCC(C)(C)OCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O5/c1-11(2,3)19-6-18-8(15)5-14-4-7(12)9(16)13-10(14)17/h4H,5-6H2,1-3H3,(H,13,16,17)
InChIKeyYYFKJBXQYUTKJX-UHFFFAOYSA-N
MW274.25 g/mol
LogP-0.01
Rot. Bonds4

About (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

(2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 121459556) has the molecular formula C11H15FN2O5 and a molecular weight of 274.25 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID121459556
Molecular FormulaC11H15FN2O5
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name(2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCC(C)(C)OCOC(=O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O5/c1-11(2,3)19-6-18-8(15)5-14-4-7(12)9(16)13-10(14)17/h4H,5-6H2,1-3H3,(H,13,16,17)
InChIKeyYYFKJBXQYUTKJX-UHFFFAOYSA-N
XLogP-0.01
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 121459556) is (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CC(C)(C)OCOC(=O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is YYFKJBXQYUTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O5/c1-11(2,3)19-6-18-8(15)5-14-4-7(12)9(16)13-10(14)17/h4H,5-6H2,1-3H3,(H,13,16,17).
What are the key properties of (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
(2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 274.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxymethyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 121459556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).