CAS 326831-57-6

4,5-Pyrimidinediamine,6-ethoxy-N4-(2-fluoroethyl)-

Description:

4,5-Pyrimidinediamine, 6-ethoxy-N4-(2-fluoroethyl)-, identified by CAS number 326831-57-6, is a chemical compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at the 4 and 5 positions. This compound features two amine groups, contributing to its potential reactivity and ability to form hydrogen bonds. The presence of an ethoxy group at the 6 position enhances its solubility in organic solvents, while the N4-(2-fluoroethyl) substituent introduces a fluorinated alkyl chain, which can influence its biological activity and lipophilicity. Such modifications can affect the compound's pharmacokinetic properties, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals. The compound's unique structure may also impart specific interactions with biological targets, which could be explored in drug design and development. As with many nitrogen-containing heterocycles, it may exhibit a range of biological activities, warranting further investigation in relevant research contexts.

Formula: C₈H₁₃FN₄O

InChI: InChI=1S/C8H13FN4O/c1-2-14-8-6(10)7(11-4-3-9)12-5-13-8/h5H,2-4,10H2,1H3,(H,11,12,13)

InChI key: JBDQPQMICYYPQJ-UHFFFAOYSA-N

SMILES: CCOC1=NC=NC(=C1N)NCCF

Synonyms:

• 4,5-Pyrimidinediamine,6-ethoxy-N4-(2-fluoroethyl)-(9CI)