[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate

C11H15FN2O4 — CID 123210695

IUPAC[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(N2C=CCNC2=O)CC1F
InChIInChI=1S/C11H15FN2O4/c1-7(15)17-6-9-8(12)5-10(18-9)14-4-2-3-13-11(14)16/h2,4,8-10H,3,5-6H2,1H3,(H,13,16)
InChIKeyCOFJQCYIGANLBY-UHFFFAOYSA-N
MW258.25 g/mol
LogP0.54
Rot. Bonds3

About [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate

[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate (PubChem CID 123210695) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
PubChem CID123210695
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
SMILESCC(=O)OCC1OC(N2C=CCNC2=O)CC1F
InChIInChI=1S/C11H15FN2O4/c1-7(15)17-6-9-8(12)5-10(18-9)14-4-2-3-13-11(14)16/h2,4,8-10H,3,5-6H2,1H3,(H,13,16)
InChIKeyCOFJQCYIGANLBY-UHFFFAOYSA-N
XLogP0.54
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S,4R,5R)-3-fluoro-4-methyl-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 144985538
[(2R,3S,5R)-3-fluoro-5-(5-iodo-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 18648376
[(2R,3S,5R)-5-[5-(bromomethyl)-2,4-dioxopyrimidin-1-yl]-3-fluorooxolan-2-yl]methyl acetate
CID 15614057
[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 14188749
[(2R,3R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methyl benzoate
CID 96884537
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123750078
[(2R,3S,5R)-3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
CID 10882581
3-[(3R,4R,5R)-5-[dideuterio(hydroxy)methyl]-3,4-dihydroxy-3-methyloxolan-2-yl]-1,6-dihydropyrimidin-2-one
CID 140657049
[(2R,3S,5R)-5-(5-acetamido-2-oxo-1H-imidazol-3-yl)-3-acetyloxyoxolan-2-yl]methyl acetate
CID 100932102
[(2R,3S,5R)-3-hydroxy-5-[(1S,6R)-6-methyl-3,5-dioxo-7-oxa-2,4-diazabicyclo[4.1.0]heptan-2-yl]oxolan-2-yl]methyl acetate
CID 10494427
[(2R,3S,5R)-3-acetyloxy-5-(2,4,5-trioxoimidazolidin-1-yl)oxolan-2-yl]methyl acetate
CID 101013589
[(2R,3S,5R)-3-acetyloxy-5-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)oxolan-2-yl]methyl acetate
CID 163296328

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The IUPAC name of [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate (CID 123210695) is [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The canonical SMILES for [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate is CC(=O)OCC1OC(N2C=CCNC2=O)CC1F.
What is the InChIKey of [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
The InChIKey is COFJQCYIGANLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-7(15)17-6-9-8(12)5-10(18-9)14-4-2-3-13-11(14)16/h2,4,8-10H,3,5-6H2,1H3,(H,13,16).
What are the key properties of [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate?
[3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate has a molecular weight of 258.25 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2-oxo-1,6-dihydropyrimidin-3-yl)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 123210695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).