4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

C8H10FN3O3S — CID 10955876

IUPAC4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CS[C@@H](CO)O2)cc1F
InChIInChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5?,6-/m0/s1
InChIKeyXQSPYNMVSIKCOC-GDVGLLTNSA-N
MW247.25 g/mol
LogP-0.46
Rot. Bonds2

About 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one

4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one (PubChem CID 10955876) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
PubChem CID10955876
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
SMILESNc1nc(=O)n(C2CS[C@@H](CO)O2)cc1F
InChIInChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5?,6-/m0/s1
InChIKeyXQSPYNMVSIKCOC-GDVGLLTNSA-N
XLogP-0.46
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one (CID 10955876) is 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one is Nc1nc(=O)n(C2CS[C@@H](CO)O2)cc1F.
What is the InChIKey of 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
The InChIKey is XQSPYNMVSIKCOC-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5?,6-/m0/s1.
What are the key properties of 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one?
4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one has a molecular weight of 247.25 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-[(2S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one is sourced from PubChem (CID 10955876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).