CAS 6014-08-0

Pyrimido[4,5-d]pyrimidine-4(3H)-thione

Description:

Pyrimido[4,5-d]pyrimidine-4(3H)-thione is a heterocyclic compound characterized by a fused bicyclic structure that incorporates both pyrimidine and thioketone functionalities. This compound features a sulfur atom in the thione group, which contributes to its unique chemical reactivity and properties. It typically exhibits a pale yellow to brownish color and is soluble in polar organic solvents. The presence of the thione group can influence its biological activity, making it of interest in medicinal chemistry for potential pharmaceutical applications. The compound may also participate in various chemical reactions, such as nucleophilic substitutions or cyclizations, due to the electron-rich nature of the nitrogen atoms in the pyrimidine rings. Its structural characteristics allow for potential interactions with biological targets, which can be explored in drug design and development. Overall, Pyrimido[4,5-d]pyrimidine-4(3H)-thione represents a versatile scaffold in organic synthesis and medicinal chemistry.

Formula: C₆H₄N₄S

InChI: InChI=1S/C6H4N4S/c11-6-4-1-7-2-8-5(4)9-3-10-6/h1-3H,(H,7,8,9,10,11)

InChI key: InChIKey=QFLIYZSAUNUZEX-UHFFFAOYSA-N

SMILES: S=C1C=2C(=NC=N1)NC=NC2

Synonyms:

• NSC 22477
• Pyrimido[4,5-d]pyrimidine-4(3H)-thione

Pyrimido[4,5-d][1,3]diazine-4-thiol

CAS: 6014-08-0

Versatile small molecule scaffold

Formula: C₆H₄N₄S

Purity: Min. 95%

Molecular weight: 164.19 g/mol

Ref: 3D-GAA01408