[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate

C16H19FN2O7 — CID 170172269

IUPAC[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate
SMILESCC(=O)OC(C)(C)C(=O)OC[C@]1(C)C=C[C@H](n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C16H19FN2O7/c1-9(20)25-15(2,3)13(22)24-8-16(4)6-5-11(26-16)19-7-10(17)12(21)18-14(19)23/h5-7,11H,8H2,1-4H3,(H,18,21,23)/t11-,16+/m1/s1
InChIKeyFXKZPNIOEHBBLT-BZNIZROVSA-N
MW370.33 g/mol
LogP0.40
Rot. Bonds5

About [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate

[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate (PubChem CID 170172269) has the molecular formula C16H19FN2O7 and a molecular weight of 370.33 g/mol. Its IUPAC name is [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate.

Molecular Properties

Compound Name[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate
PubChem CID170172269
Molecular FormulaC16H19FN2O7
Molecular Weight370.33 g/mol
Exact Mass370.12
IUPAC Name[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate
SMILESCC(=O)OC(C)(C)C(=O)OC[C@]1(C)C=C[C@H](n2cc(F)c(=O)[nH]c2=O)O1
InChIInChI=1S/C16H19FN2O7/c1-9(20)25-15(2,3)13(22)24-8-16(4)6-5-11(26-16)19-7-10(17)12(21)18-14(19)23/h5-7,11H,8H2,1-4H3,(H,18,21,23)/t11-,16+/m1/s1
InChIKeyFXKZPNIOEHBBLT-BZNIZROVSA-N
XLogP0.40
TPSA116.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 170172271
[(2R,3S,5R)-3-acetyloxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(trifluoromethyl)oxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 15451654
[(4S,5R)-2-(acetyloxymethyl)-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
CID 170391685
[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 14530807
[(2R,3S,5R)-3-acetyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)oxolan-2-yl]methyl acetate
CID 138526683
[(2R,5R)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)-5-(2-trimethylsilylethynyl)-2H-furan-5-yl]methyl acetate
CID 56595335
1-(3,4-dihydroxy-5,5-dimethyloxolan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 20605137
[(1S,3R,3aR,7aS)-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1-yl]methyl acetate
CID 25268665
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 174150744
[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123750078
[(3aR,4R,6R,6aR)-4-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 22821026
5-fluoro-1-[4-hydroxy-5-(hydroxymethyl)-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 163529144

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate?
The IUPAC name of [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate (CID 170172269) is [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate.
What is the SMILES notation for [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate?
The canonical SMILES for [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate is CC(=O)OC(C)(C)C(=O)OC[C@]1(C)C=C[C@H](n2cc(F)c(=O)[nH]c2=O)O1.
What is the InChIKey of [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate?
The InChIKey is FXKZPNIOEHBBLT-BZNIZROVSA-N. The full InChI is InChI=1S/C16H19FN2O7/c1-9(20)25-15(2,3)13(22)24-8-16(4)6-5-11(26-16)19-7-10(17)12(21)18-14(19)23/h5-7,11H,8H2,1-4H3,(H,18,21,23)/t11-,16+/m1/s1.
What are the key properties of [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate?
[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate has a molecular weight of 370.33 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate is sourced from PubChem (CID 170172269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).