[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate

C16H20FN3O5 — CID 20821635

IUPAC[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate
SMILESC=C1N=C(N)C(F)=CN1C1C=CC(COC(=O)C(C)(C)OC(C)=O)O1
InChIInChI=1S/C16H20FN3O5/c1-9-19-14(18)12(17)7-20(9)13-6-5-11(24-13)8-23-15(22)16(3,4)25-10(2)21/h5-7,11,13H,1,8H2,2-4H3,(H2,18,19)
InChIKeyKRHUMAFINZLEMP-UHFFFAOYSA-N
MW353.35 g/mol
LogP1.11
Rot. Bonds5

About [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate

[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate (PubChem CID 20821635) has the molecular formula C16H20FN3O5 and a molecular weight of 353.35 g/mol. Its IUPAC name is [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate.

Molecular Properties

Compound Name[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate
PubChem CID20821635
Molecular FormulaC16H20FN3O5
Molecular Weight353.35 g/mol
Exact Mass353.14
IUPAC Name[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate
SMILESC=C1N=C(N)C(F)=CN1C1C=CC(COC(=O)C(C)(C)OC(C)=O)O1
InChIInChI=1S/C16H20FN3O5/c1-9-19-14(18)12(17)7-20(9)13-6-5-11(24-13)8-23-15(22)16(3,4)25-10(2)21/h5-7,11,13H,1,8H2,2-4H3,(H2,18,19)
InChIKeyKRHUMAFINZLEMP-UHFFFAOYSA-N
XLogP1.11
TPSA103.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 51.11
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-(2-amino-6,8-dioxo-7-prop-2-enyl-1H-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 135546146
1-[(2R,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-fluoro-2-methylidenepyrimidin-4-amine
CID 159140478
[(2R,5S)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-1,3-oxathiolan-2-yl]methanol
CID 163912563
[(2R,5S)-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-methyl-2H-furan-5-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 170172269
[[(2R,3R,5R)-5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-5-[5-fluoro-2,4-bis(sulfanylidene)pyrimidin-1-yl]-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 158944755
1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
CID 58287889
(2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 159452334
[(2S,5R)-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-2-yl]methyl 2-acetyloxy-2-methylpropanoate
CID 170172271
[[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-(prop-1-en-2-yloxymethoxy)phosphanyl]oxymethyl propan-2-yl carbonate;propane
CID 171628809
2-(4-amino-5-iodo-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 158348128
[(2R,3R,6S)-3-hydroxy-2-prop-2-enyl-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 25170494
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl butanoate
CID 70382951

Frequently Asked Questions

What is the IUPAC name of [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
The IUPAC name of [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate (CID 20821635) is [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate.
What is the SMILES notation for [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
The canonical SMILES for [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate is C=C1N=C(N)C(F)=CN1C1C=CC(COC(=O)C(C)(C)OC(C)=O)O1.
What is the InChIKey of [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
The InChIKey is KRHUMAFINZLEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O5/c1-9-19-14(18)12(17)7-20(9)13-6-5-11(24-13)8-23-15(22)16(3,4)25-10(2)21/h5-7,11,13H,1,8H2,2-4H3,(H2,18,19).
What are the key properties of [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate?
[5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate has a molecular weight of 353.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-amino-5-fluoro-2-methylidenepyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 2-acetyloxy-2-methylpropanoate is sourced from PubChem (CID 20821635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).