CAS 1220027-21-3

2-(1,1-Dimethylethyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one

Description:

2-(1,1-Dimethylethyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, with the CAS number 1220027-21-3, is a chemical compound characterized by its unique bicyclic structure, which incorporates both pyrrole and pyrimidine moieties. This compound features a tert-butyl group, contributing to its hydrophobic properties and influencing its solubility in organic solvents. The presence of the tetrahydro configuration indicates that it is a saturated derivative, which may affect its reactivity and stability. Typically, such compounds can exhibit biological activity, making them of interest in medicinal chemistry and drug development. The specific arrangement of functional groups and stereochemistry can significantly impact its pharmacological properties, including potential interactions with biological targets. Additionally, the compound's molecular weight, melting point, and boiling point would be relevant for practical applications, although these specific values are not provided here. Overall, this compound represents a class of heterocyclic compounds that may have diverse applications in pharmaceuticals and organic synthesis.

Formula: C₁₀H₁₅N₃O

InChI: InChI=1S/C10H15N3O/c1-10(2,3)9-12-7-5-11-4-6(7)8(14)13-9/h11H,4-5H2,1-3H3,(H,12,13,14)

InChI key: InChIKey=MZICOGMWWUOQKL-UHFFFAOYSA-N

SMILES: O=C1C2=C(NC(C(C)(C)C)=N1)CNC2

Synonyms:

• 4H-Pyrrolo[3,4-d]pyrimidin-4-one, 2-(1,1-dimethylethyl)-3,5,6,7-tetrahydro-
• 2-(1,1-Dimethylethyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one