1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C10H13FN2O5 — CID 144766802

IUPAC1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOOCC1CC(F)C(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C10H13FN2O5/c1-16-17-5-6-4-7(11)9(18-6)13-3-2-8(14)12-10(13)15/h2-3,6-7,9H,4-5H2,1H3,(H,12,14,15)
InChIKeyBXEXKOFOZIDJFE-UHFFFAOYSA-N
MW260.22 g/mol
LogP-0.26
Rot. Bonds4

About 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 144766802) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID144766802
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESCOOCC1CC(F)C(n2ccc(=O)[nH]c2=O)O1
InChIInChI=1S/C10H13FN2O5/c1-16-17-5-6-4-7(11)9(18-6)13-3-2-8(14)12-10(13)15/h2-3,6-7,9H,4-5H2,1H3,(H,12,14,15)
InChIKeyBXEXKOFOZIDJFE-UHFFFAOYSA-N
XLogP-0.26
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy thiohypoiodite;ethane;methane
CID 144654228
1-[(2R,3R,5S)-5-ethyl-3-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 135134474
2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-fluorooxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetaldehyde
CID 171568504
ethane;1-[(3S,5S)-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 144654171
1-[(2R,3R,4R,5S)-3-fluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 163625739
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
[(2R,4S,5R)-3-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-4-sulfanyloxolan-2-yl]methyl acetate
CID 58978842
1-[(2S,4S,5R)-5-ethyl-3,4-dimethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 173465347
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]-N-methylmethanesulfonamide
CID 174076838

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 144766802) is 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is COOCC1CC(F)C(n2ccc(=O)[nH]c2=O)O1.
What is the InChIKey of 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is BXEXKOFOZIDJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5/c1-16-17-5-6-4-7(11)9(18-6)13-3-2-8(14)12-10(13)15/h2-3,6-7,9H,4-5H2,1H3,(H,12,14,15).
What are the key properties of 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 260.22 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(methylperoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 144766802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).