1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione

C10H14N2O5S — CID 69050014

IUPAC1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCSC1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C10H14N2O5S/c1-18-8-7(15)5(4-13)17-9(8)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,7-,8?,9-/m1/s1
InChIKeyOLUKXWWJVTWVQB-VGVDKZGOSA-N
MW274.30 g/mol
LogP-1.48
Rot. Bonds3

About 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 69050014) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID69050014
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCSC1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O
InChIInChI=1S/C10H14N2O5S/c1-18-8-7(15)5(4-13)17-9(8)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,7-,8?,9-/m1/s1
InChIKeyOLUKXWWJVTWVQB-VGVDKZGOSA-N
XLogP-1.48
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,4S,5R)-3-(disulfanyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 159008380
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]pyrimidine-2,4-dione
CID 76973315
1-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 638039
1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl](2,4,5,6-13C4)pyrimidine-2,4-dione
CID 171037880
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6029
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
CID 70523066
CID 70523066
ethane;1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 145193234
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;dioxovanadium
CID 87329408
1-[(3S)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 171699529
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione (CID 69050014) is 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione is CSC1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O.
What is the InChIKey of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is OLUKXWWJVTWVQB-VGVDKZGOSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-18-8-7(15)5(4-13)17-9(8)12-3-2-6(14)11-10(12)16/h2-3,5,7-9,13,15H,4H2,1H3,(H,11,14,16)/t5-,7-,8?,9-/m1/s1.
What are the key properties of 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 274.30 g/mol, XLogP of -1.48, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylsulfanyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 69050014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).