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CAS 1172131-64-4

:

2-(1-Amino-1-methylethyl)-4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-6-oxo-5-pyrimidinyl 2,2-dimethylpropanoate

Description:
The chemical substance known as "2-(1-Amino-1-methylethyl)-4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-6-oxo-5-pyrimidinyl 2,2-dimethylpropanoate," with the CAS number 1172131-64-4, is a complex organic compound characterized by its pyrimidine core structure, which is substituted with various functional groups. This compound features an amino group, a fluorophenyl moiety, and an ester functional group, contributing to its potential biological activity. The presence of the fluorine atom may enhance lipophilicity and metabolic stability, while the amino and carbonyl groups can participate in hydrogen bonding and other interactions. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. The compound's solubility, stability, and reactivity would depend on its specific functional groups and overall molecular conformation. As with many complex organic molecules, its synthesis and characterization would require careful analytical techniques to confirm purity and structural integrity.
Formula:C21H27FN4O4
InChI:InChI=1S/C21H27FN4O4/c1-20(2,3)19(29)30-15-14(25-18(21(4,5)23)26(6)17(15)28)16(27)24-11-12-7-9-13(22)10-8-12/h7-10H,11,23H2,1-6H3,(H,24,27)
InChI key:InChIKey=SFLZVGAVNFPWRR-UHFFFAOYSA-N
SMILES:O(C(C(C)(C)C)=O)C1=C(C(NCC2=CC=C(F)C=C2)=O)N=C(C(C)(C)N)N(C)C1=O
Synonyms:
  • 2-(1-Amino-1-methylethyl)-N-(4-fluorobenzyl)-1-methyl-6-oxo-5-(pivaloyloxy)-1,6-dihydropyrimidine-4-carboxamide
  • Propanoic acid, 2,2-dimethyl-, 2-(1-amino-1-methylethyl)-4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-6-oxo-5-pyrimidinyl ester
  • 2-(1-Amino-1-methylethyl)-4-[[[(4-fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-6-oxo-5-pyrimidinyl 2,2-dimethylpropanoate
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