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Allopurinol

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Identification
Molecular formula
C13H16N2O2
CAS number
18002-17-8
IUPAC name
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
State
State

Solid at room temperature.

Melting point (Celsius)
350.20
Melting point (Kelvin)
623.35
Boiling point (Celsius)
485.40
Boiling point (Kelvin)
758.55
General information
Molecular weight
236.30g/mol
Molar mass
236.2940g/mol
Density
1.3720g/cm3
Appearence

The compound is typically a white to off-white crystalline powder.

Comment on solubility

Solubility of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

The solubility profile of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is of great interest due to its unique structure. Here are some key points to consider regarding its solubility:

  • Polarity: The overall polarity of the compound plays a significant role in its solubility in various solvents. Generally, compounds that are more polar tend to dissolve better in polar solvents, while non-polar compounds are more soluble in non-polar solvents.
  • Solvent Interaction: This specific compound may exhibit limited solubility in water due to the presence of non-polar cyclohexyl groups, which typically favor non-polar organic solvents.
  • Potential Solvents: Possible solvents for dissolving 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione could include:
    • Dimethyl sulfoxide (DMSO)
    • Tetrahydrofuran (THF)
    • Chloroform
  • Temperature Effects: As with many compounds, solubility may increase with temperature. Therefore, heating the solvent could enhance the dissolution process.
  • Hydrogen Bonding: The capability of the compound to engage in hydrogen bonding may also affect its solubility, particularly in polar solvents.

In conclusion, understanding the solubility characteristics of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is crucial for its application in various fields, as it guides the choice of solvents for reactions and formulations. This compound showcases the balance between structural features and their influence on solubility, highlighting the complexity of compound behavior in different environments.

Interesting facts

Interesting Facts About 3-Cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

This fascinating compound, known as 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione, belongs to a class of compounds that exhibit interesting chemical features and potential applications. Here are some engaging points to consider:

  • Structural Diversity: The complex structure of this compound includes a fusion of multiple rings, which is characteristic of many biologically active molecules. This architecture can contribute to its unique properties.
  • Potential Pharmacological Applications: Compounds similar to this one have emerged as interesting candidates in medicinal chemistry. They may exhibit activities such as anti-cancer or anti-inflammatory effects, which need to be further explored in biological studies.
  • Synthetic Challenge: The synthesis of this compound can be quite challenging due to the multiple ring systems involved. Chemists often employ a combination of cyclization reactions and functional group transformations to generate such intricate molecules.
  • Interdisciplinary Interest: Researchers from various fields, including organic chemistry, pharmacology, and materials science, may find this compound intriguing due to its diverse potential applications.
  • Research Opportunities: Given its unique structure, further investigation can lead to novel derivatives that can enhance its properties or alter its bioactivity for specific applications.

As you delve into the study of 3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione, remember the importance of exploring not just the compound itself, but also the broader chemical landscape it represents. As the saying in chemistry goes, "One molecule can open the door to countless discoveries."


Synonyms
LENACIL
2164-08-1
Caswell No. 525A
CHEBI:6407
Vizor
Lenacile [ISO-French]
Lenacil [ANSI:BSI:ISO]
X58DK6S8KX
CCRIS 1936
LENACIL [ISO]
LENACIL [MI]
EINECS 218-499-0
UNII-X58DK6S8KX
EPA Pesticide Chemical Code 525200
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
3-Cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4-(3H,5H)-dione
BRN 0751331
3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
DTXSID9042093
Lenacile (ISO-French)
6,7-Dihydro-3-cyclohexyl-1H-cyclopentapyrimidine-2,4(3H,5H)-dione
Lenacil (ANSI:BSI:ISO)
5-24-07-00375 (Beilstein Handbook Reference)
3-Cyclohexyl-1,5,6,7-tetrahydo-2H-cyclopentapyrimidine-2,4(3H)-dione
3-CYCLOHEXYL-1,5,6,7-TETRAHYDRO-2H-CYCLOPENTAPYRIMIDINE-2,4(3H)-DIONE
hexylure
3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta(d)pyrimidine-2,4-dione
3-cyclohexyl-6,7-dihydro-1H-cyclopenta(d)pyrimidine-2,4(3H,5H)-dione
DTXCID7022093
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-(7CI)(8CI)
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-(7CI)(8CI)(9CI)
218-499-0
ztmkadlosykwca-uhfffaoysa-n
Elbatan
Hexilure
Venzar
Buracyl
Adol (pesticide)
Du Pont 634
3-Cyclohexyl-5,6-trimethyleneuracil
Herbicide 634
Uracil 634
Lenacile
Experimental herbicide 634
3-Cyclohexyl-5,6-trimethylenuracil
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-3-cyclohexyl-
3-Cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione
Lenacil 10 microg/mL in Acetonitrile
Lenacil 100 microg/mL in Acetonitrile
3-Cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione
MFCD00055395
3-Cyclohexyl-5,6-trimethylenuracil [German]
ChemDiv2_003460
Cambridge id 5278276
TimTec1_005078
Oprea1_040328
SCHEMBL55361
CBDivE_015813
MLS000053105
CHEMBL1522462
HMS1378N06
HMS1548G18
HMS2429C16
CAA16408
BDBM50487030
STK753301
STK855435
AKOS000545956
AKOS002346590
SDCCGMLS-0034596.P002
SMR000069372
DB-045652
HY-116706
Lenacil, PESTANAL(R), analytical standard
CS-0066327
EU-0067105
NS00000444
1Y-0616
SR-01000398292
Q1817371
SR-01000398292-1
BRD-K32360302-001-06-7
3-Cyclohexyl-2-hydroxy-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
3-Cyclohexyl-2-hydroxy-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one #