4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one

C8H10FN3O2S — CID 54543288

IUPAC4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one
SMILESCC1OC(n2cc(F)c(N)nc2=O)CS1
InChIInChI=1S/C8H10FN3O2S/c1-4-14-6(3-15-4)12-2-5(9)7(10)11-8(12)13/h2,4,6H,3H2,1H3,(H2,10,11,13)
InChIKeyKWLYJYIVRWWVMI-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.57
Rot. Bonds1

About 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one

4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one (PubChem CID 54543288) has the molecular formula C8H10FN3O2S and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one
PubChem CID54543288
Molecular FormulaC8H10FN3O2S
Molecular Weight231.25 g/mol
Exact Mass231.05
IUPAC Name4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one
SMILESCC1OC(n2cc(F)c(N)nc2=O)CS1
InChIInChI=1S/C8H10FN3O2S/c1-4-14-6(3-15-4)12-2-5(9)7(10)11-8(12)13/h2,4,6H,3H2,1H3,(H2,10,11,13)
InChIKeyKWLYJYIVRWWVMI-UHFFFAOYSA-N
XLogP0.57
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one (CID 54543288) is 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one is CC1OC(n2cc(F)c(N)nc2=O)CS1.
What is the InChIKey of 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one?
The InChIKey is KWLYJYIVRWWVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2S/c1-4-14-6(3-15-4)12-2-5(9)7(10)11-8(12)13/h2,4,6H,3H2,1H3,(H2,10,11,13).
What are the key properties of 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one?
4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one has a molecular weight of 231.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(2-methyl-1,3-oxathiolan-5-yl)pyrimidin-2-one is sourced from PubChem (CID 54543288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).