5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione

C12H15FN2O3S — CID 70585782

IUPAC5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1C1CCCS1
InChIInChI=1S/C12H15FN2O3S/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
InChIKeyQHYFYYDCKIQUAL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.48
Rot. Bonds2

About 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione

5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione (PubChem CID 70585782) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione
PubChem CID70585782
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC Name5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(C2CCCO2)c(=O)n1C1CCCS1
InChIInChI=1S/C12H15FN2O3S/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2
InChIKeyQHYFYYDCKIQUAL-UHFFFAOYSA-N
XLogP1.48
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-1,3-bis[(2S)-oxolan-2-yl]pyrimidine-2,4-dione
CID 76969882
5-fluoro-3-(hydroxymethyl)-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 24773982
2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetate
CID 7131417
5-fluoro-3-[(4-hydroxymorpholin-4-ium-4-yl)methyl]-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149405
5-fluoro-3-(morpholin-4-ylmethyl)-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 59149455
5-methyl-1,3-bis(oxolan-2-yl)pyrimidine-2,4-dione
CID 12509177
3-[(2-chlorophenyl)methyl]-5-fluoro-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
CID 911393
N-cycloheptyl-2-[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]acetamide
CID 17392303
5-fluoro-1-(oxolan-2-yl)(213C,1,3-15N2)pyrimidine-2,4-dione
CID 71434333
5-fluoro-1-(oxolan-2-yl)-3-(quinolin-2-ylmethyl)pyrimidine-2,4-dione
CID 17481424
4-amino-2-[[5-fluoro-2,6-dioxo-3-(oxolan-2-yl)pyrimidin-1-yl]methyl]butanoic acid
CID 69456008
N-[3,5-bis(trifluoromethyl)phenyl]-2-[5-fluoro-2,6-dioxo-3-[(2S)-oxolan-2-yl]pyrimidin-1-yl]acetamide
CID 41135299

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione (CID 70585782) is 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione is O=c1c(F)cn(C2CCCO2)c(=O)n1C1CCCS1.
What is the InChIKey of 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione?
The InChIKey is QHYFYYDCKIQUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c13-8-7-14(9-3-1-5-18-9)12(17)15(11(8)16)10-4-2-6-19-10/h7,9-10H,1-6H2.
What are the key properties of 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione?
5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(oxolan-2-yl)-3-(thiolan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 70585782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).