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Theobromine

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Identification
Molecular formula
C7H8N4O2
CAS number
83-67-0
IUPAC name
6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione
State
State

At room temperature, theobromine is in a solid state, typically as a crystalline powder.

Melting point (Celsius)
357.00
Melting point (Kelvin)
630.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
180.16g/mol
Molar mass
180.1640g/mol
Density
1.3200g/cm3
Appearence

Theobromine typically appears as a white or colorless crystalline powder. It is odorless but has a bitter taste.

Comment on solubility

Solubility of 6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione

The solubility of 6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione, a compound characterized by its unique structure, can be influenced by several factors:

  • Polarity: The presence of amino groups typically enhances water solubility due to hydrogen bonding capabilities.
  • Functional Groups: The pyrimidine base may exhibit moderate solubility in polar solvents like water but can vary with the addition of hydrophobic groups such as the methylallyl chain.
  • Temperature: As with many compounds, increased temperature can potentially improve solubility.
  • pH Level: The solubility may also be affected by the pH of the solution; basic conditions can deprotonate the amino group, enhancing solubility.

In summary, while it is expected that 6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione shows some degree of solubility in polar solvents, specific tests are needed to determine the exact solubility profile under varied conditions. It's important to consider how these factors interplay, as they can significantly alter the overall solubility of the compound.

Interesting facts

Exploring 6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione is a fascinating compound that belongs to the pyrimidine family, which is renowned for its role in various biological processes. Here are some interesting facts about this intriguing molecule:

  • Biological Significance: Pyrimidines, including this compound, are essential components of nucleic acids. They play a critical role in genetic information storage and transfer, making them fundamental to life.
  • Pharmacological Potential: Compounds like 6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione have attracted attention in medicinal chemistry. They may exhibit potential antitumor or antiviral activities, making them candidates for drug development.
  • Functional Groups: The compound contains various functional groups that contribute to its reactivity and interaction with biological targets. The presence of the amino group suggests it can participate in hydrogen bonding, influencing its pharmacological properties.
  • Natural Products: The structure of this compound bears resemblance to compounds found in nature. Many pyrimidine derivatives are derived from natural sources and have been isolated from plants, making them of interest in natural product chemistry.
  • Research Applications: This compound and its analogs are often used in research to explore enzyme inhibitors or as substrates in biochemical reactions, making them valuable tools in studying metabolic pathways.

As a seasoned scientist or an enthusiastic student, diving deeper into the chemistry of 6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-dione can unveil new therapeutic possibilities and enhance our understanding of fundamental biological processes. It is a wonderful example of how organic compounds can intertwine with life in both health and disease.

Synonyms
AMISOMETRADINE
550-28-7
Amisometradin
Rolicton
Aminoisometradin
Aminoisometradine
Amisometradina
Amisometradine-d3
Amisometradine [INN:BAN:NF]
6-Amino-3-methyl-1-(2-methylallyl)-2,4(1H,3H)-pyrimidinedione
6-Amino-3-methyl-1-(2-methylallyl)uracil
NSC-70479
6-Amino-1-metallyl-3-methylpyrimidine-2,4-dione
1-Methallyl-3-methyl-6-aminotetrahydropyrimidinedione
Uracil, 6-amino-3-methyl-1-(2-methylallyl)-
6-amino-3-methyl-1-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
30973N61ZF
2,4(1H,3H)-Pyrimidinedione, 6-amino-3-methyl-1-(2-methyl-2-propenyl)-
Amisometradinum
Amisometradinum [INN-Latin]
Amisometradina [INN-Spanish]
EINECS 208-980-3
NSC 70479
6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
BRN 0182347
UNII-30973N61ZF
6-Amino-3-methyl-1-(2-methyl-2-propenyl)-2,4(1H,3H)-pyrimidinedione
AMISOMETRADINE [MI]
AMISOMETRADINE [INN]
5-25-15-00393 (Beilstein Handbook Reference)
SCHEMBL309300
CHEMBL2105979
DTXSID40203538
CHEBI:134852
AAA55028
NSC70479
AKOS006272017
WLN: T6NVNVJ A1Y1&U1 C1 FZ
NS00033223
EN300-208762
G48689
Q27255937
Z1198155480
6-Amino-3-methyl-1-(2-methylallyl)-2,3H)-pyrimidinedione
6-amino-3-methyl-1-(2-methyl-allyl)-1H-pyrimidine-2,4-dione
6-amino-3-methyl-1-(2-methyl-allyl)-1H-pyrimidine-2,4dione
6-amino-3-methyl-1-(2-methyl-allyl)-lH-pyrimidine-2,4-dione
2,3H)-Pyrimidinedione, 6-amino-3-methyl-1-(2-methyl-2-propenyl)-