structure of tert-Butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

tert-Butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate

CAS No.: 1001201-61-1
M. Wt: 334.41300
M. Fa: C17H26N4O3
InChI Key: FJZNFQTYLHVIML-NEPJUHHUSA-N

Names and Identifiers of 1001201-61-1

CAS Number

1001201-61-1

IUPAC Name

tert-butyl 4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazine-1-carboxylate

InChI

InChI=1S/C17H26N4O3/c1-11-9-12(22)14-13(11)15(19-10-18-14)20-5-7-21(8-6-20)16(23)24-17(2,3)4/h10-12,22H,5-9H2,1-4H3/t11-,12+/m1/s1

InChIKey

FJZNFQTYLHVIML-NEPJUHHUSA-N

Canonical SMILES

CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@@H]1C[C@@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C)O

Physical and chemical properties of 1001201-61-1

Exact Mass

334.20000

LogP

2.07720

Molecular Formula

C17H26N4O3

Molecular Weight

334.41300

PSA

78.79000

Storage condition

2-8°C

Applications of 1001201-61-1

This compound has potential applications in medicinal chemistry due to its biological activity. It may be utilized in drug development processes targeting diseases such as cancer or inflammatory disorders. Additionally, its unique structure makes it a candidate for further modifications to enhance efficacy or reduce side effects.

Interaction Studies of 1001201-61-1

Interaction studies have shown that tert-butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate interacts with various biological macromolecules, including proteins and enzymes involved in disease pathways. These interactions are crucial for understanding its mechanism of action and optimizing its therapeutic potential.

Biological Activity of 1001201-61-1

Research indicates that tert-butyl 4-((5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate exhibits promising biological activities. Specifically, it has been investigated for its potential as an anti-inflammatory and anti-cancer agent. The structural features of this compound may enhance its interaction with biological targets, leading to significant pharmacological effects.