1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

C9H12N2O4S — CID 134259432

IUPAC1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
SMILESCOC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)CS1
InChIInChI=1S/C9H12N2O4S/c1-14-4-8-15-7(5-16-8)11-3-2-6(12)10-9(11)13/h2-3,7-8H,4-5H2,1H3,(H,10,12,13)/t7-,8+/m0/s1
InChIKeyWBSOXSSITGIWNV-JGVFFNPUSA-N
MW244.27 g/mol
LogP-0.23
Rot. Bonds3

About 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione

1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione (PubChem CID 134259432) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
PubChem CID134259432
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
SMILESCOC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)CS1
InChIInChI=1S/C9H12N2O4S/c1-14-4-8-15-7(5-16-8)11-3-2-6(12)10-9(11)13/h2-3,7-8H,4-5H2,1H3,(H,10,12,13)/t7-,8+/m0/s1
InChIKeyWBSOXSSITGIWNV-JGVFFNPUSA-N
XLogP-0.23
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethyl-1,3-oxathiolan-5-yl)pyrimidine-2,4-dione
CID 58813307
1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
CID 20744743
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
methanol;1-[(2R,5S)-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 145071309
ethyl (2S,5R)-5-(2,4-dioxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
CID 67793420
1-[(5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]-4-[methyl(2-methylpropyl)amino]pyrimidin-2-one
CID 170058171
1-[(2R,3S,5S)-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145071280
1-[3-chloro-5-(methoxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123500574
4-[butyl(methyl)amino]-1-[(5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 170058170
1-[(2S,5S)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57303965
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 68666642
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(methoxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 155736147

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione (CID 134259432) is 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is COC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)CS1.
What is the InChIKey of 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
The InChIKey is WBSOXSSITGIWNV-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-14-4-8-15-7(5-16-8)11-3-2-6(12)10-9(11)13/h2-3,7-8H,4-5H2,1H3,(H,10,12,13)/t7-,8+/m0/s1.
What are the key properties of 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione?
1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione has a molecular weight of 244.27 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5S)-2-(methoxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 134259432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).