5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

C15H22N2O4S — CID 15954537

IUPAC5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1C1CCCCC1
InChIInChI=1S/C15H22N2O4S/c18-8-12-11(19)6-13(22-12)17-7-10(14(20)16-15(17)21)9-4-2-1-3-5-9/h7,9,11-13,18-19H,1-6,8H2,(H,16,20,21)/t11-,12+,13+/m0/s1
InChIKeyIACBEXVZHGGOLI-YNEHKIRRSA-N
MW326.42 g/mol
LogP0.94
Rot. Bonds3

About 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione (PubChem CID 15954537) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
PubChem CID15954537
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1C1CCCCC1
InChIInChI=1S/C15H22N2O4S/c18-8-12-11(19)6-13(22-12)17-7-10(14(20)16-15(17)21)9-4-2-1-3-5-9/h7,9,11-13,18-19H,1-6,8H2,(H,16,20,21)/t11-,12+,13+/m0/s1
InChIKeyIACBEXVZHGGOLI-YNEHKIRRSA-N
XLogP0.94
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-bromo-1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 101108223
5-chloro-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10588705
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
5-chloro-1-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 10802590
1-[(4S,5S)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-iodopyrimidine-2,4-dione
CID 101108224
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(125I)iodopyrimidine-2,4-dione
CID 159360455
5-ethyl-1-[(2S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
CID 67480837
1-cyclopentyl-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 168973339
cyclohexyl [(2R,3S,5R)-3-cyclohexyloxycarbonyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)thiolan-2-yl]methyl carbonate
CID 71738769
[(2R,3S,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)thiolan-3-yl] pentan-3-yl carbonate
CID 71738574
2-amino-9-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
CID 135841589
5-cyclopropyl-1-[(2R,5R)-5-ethynyl-5-(hydroxymethyl)-2H-furan-2-yl]pyrimidine-2,4-dione
CID 176809410

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione (CID 15954537) is 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is IACBEXVZHGGOLI-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H22N2O4S/c18-8-12-11(19)6-13(22-12)17-7-10(14(20)16-15(17)21)9-4-2-1-3-5-9/h7,9,11-13,18-19H,1-6,8H2,(H,16,20,21)/t11-,12+,13+/m0/s1.
What are the key properties of 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione?
5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 326.42 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 15954537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).