1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

C9H10N2O4S2 — CID 173492521

IUPAC1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2O[C@H](CO)C=C2SS)c(=O)[nH]1
InChIInChI=1S/C9H10N2O4S2/c12-4-5-3-6(17-16)8(15-5)11-2-1-7(13)10-9(11)14/h1-3,5,8,12,16H,4H2,(H,10,13,14)/t5-,8-/m0/s1
InChIKeyIFYHHUFWPCXXSX-XNCJUZBTSA-N
MW274.32 g/mol
LogP-0.11
Rot. Bonds3

About 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione

1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 173492521) has the molecular formula C9H10N2O4S2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID173492521
Molecular FormulaC9H10N2O4S2
Molecular Weight274.32 g/mol
Exact Mass274.01
IUPAC Name1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2O[C@H](CO)C=C2SS)c(=O)[nH]1
InChIInChI=1S/C9H10N2O4S2/c12-4-5-3-6(17-16)8(15-5)11-2-1-7(13)10-9(11)14/h1-3,5,8,12,16H,4H2,(H,10,13,14)/t5-,8-/m0/s1
InChIKeyIFYHHUFWPCXXSX-XNCJUZBTSA-N
XLogP-0.11
TPSA84.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-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-[(2S,5R)-3-[[(2S,5R)-2-(2,4-dioxopyrimidin-1-yl)-5-(hydroxymethyl)-2,5-dihydrofuran-3-yl]disulfanyl]-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 87646835
1-[3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 14578322
1-[(2S,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 727958
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,4S,5R)-4-fluoro-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]pyrimidine-2,4-dione
CID 10354357
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;hydrofluoride
CID 159318740
CID 70523066
CID 70523066
1-[(1S,2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-dione
CID 176801499

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 173492521) is 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2O[C@H](CO)C=C2SS)c(=O)[nH]1.
What is the InChIKey of 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is IFYHHUFWPCXXSX-XNCJUZBTSA-N. The full InChI is InChI=1S/C9H10N2O4S2/c12-4-5-3-6(17-16)8(15-5)11-2-1-7(13)10-9(11)14/h1-3,5,8,12,16H,4H2,(H,10,13,14)/t5-,8-/m0/s1.
What are the key properties of 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione?
1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 274.32 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5S)-3-(disulfanyl)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 173492521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).