1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

C14H24N2O4SSi — CID 20744743

IUPAC1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CS1
InChIInChI=1S/C14H24N2O4SSi/c1-14(2,3)22(4,5)19-8-12-20-11(9-21-12)16-7-6-10(17)15-13(16)18/h6-7,11-12H,8-9H2,1-5H3,(H,15,17,18)
InChIKeyLCOBQLLOWNCCFD-UHFFFAOYSA-N
MW344.51 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione (PubChem CID 20744743) has the molecular formula C14H24N2O4SSi and a molecular weight of 344.51 g/mol. Its IUPAC name is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
PubChem CID20744743
Molecular FormulaC14H24N2O4SSi
Molecular Weight344.51 g/mol
Exact Mass344.12
IUPAC Name1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CS1
InChIInChI=1S/C14H24N2O4SSi/c1-14(2,3)22(4,5)19-8-12-20-11(9-21-12)16-7-6-10(17)15-13(16)18/h6-7,11-12H,8-9H2,1-5H3,(H,15,17,18)
InChIKeyLCOBQLLOWNCCFD-UHFFFAOYSA-N
XLogP2.15
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 134259432
1-(2-ethyl-1,3-oxathiolan-5-yl)pyrimidine-2,4-dione
CID 58813307
4-amino-1-[(2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 11256415
1-[(2R,3R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 174010647
1-[(2S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 57150410
1-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 10785196
1-[(2S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 57102324
[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 174108053
[4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] methanesulfonate
CID 174108056
1-[(2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-5-methylpyrimidine-2,4-dione
CID 10368003
1-[(2S,3S,4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chloro-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 11783743
N-[1-[(2R,5S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]-2-oxopyrimidin-4-yl]benzamide
CID 171341738

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione (CID 20744743) is 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is CC(C)(C)[Si](C)(C)OCC1OC(n2ccc(=O)[nH]c2=O)CS1.
What is the InChIKey of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
The InChIKey is LCOBQLLOWNCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4SSi/c1-14(2,3)22(4,5)19-8-12-20-11(9-21-12)16-7-6-10(17)15-13(16)18/h6-7,11-12H,8-9H2,1-5H3,(H,15,17,18).
What are the key properties of 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione has a molecular weight of 344.51 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 20744743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).