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

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

CAS No.: 1001178-90-0
M. Wt: 318.41400
M. Fa: C17H26N4O2
InChI Key: OQNVHLKAUNZNED-GFCCVEGCSA-N

Names and Identifiers of 1001178-90-0

CAS Number

1001178-90-0

IUPAC Name

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

InChI

InChI=1S/C17H26N4O2/c1-12-5-6-13-14(12)15(19-11-18-13)20-7-9-21(10-8-20)16(22)23-17(2,3)4/h11-12H,5-10H2,1-4H3/t12-/m1/s1

InChIKey

OQNVHLKAUNZNED-GFCCVEGCSA-N

Canonical SMILES

CC1CCC2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H]1CCC2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C

Physical and chemical properties of 1001178-90-0

Acidity coefficient

6.54±0.40(Predicted)

Boiling Point

455.6±45.0 °C(Predicted)

Density

1.155±0.06 g/cm3(Predicted)

Exact Mass

318.20600

LogP

2.58630

Molecular Formula

C17H26N4O2

Molecular Weight

318.41400

PSA

58.56000

Interaction Studies of 1001178-90-0

Interaction studies involving (R)-tert-Butyl 4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate focus on its binding affinity to biological targets. These studies typically involve:

  • In vitro Binding Assays: To evaluate interactions with specific receptors or enzymes.
  • Cell Line Studies: To assess the compound's effects on cellular pathways and viability.
Similar Compounds

Several compounds share structural similarities with (R)-tert-butyl 4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate, including:

  • tert-butyl 4-(5-methyl-7-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate (CAS No. 1001180-21-7)
    • Features an oxo group instead of a hydroxy group.
  • tert-butyl 4-(5-methylcyclopenta[d]pyrimidin) derivatives
    • Variants that may lack the piperazine moiety or have different substitutions.

These compounds are noteworthy for comparative studies due to their structural and functional similarities, which may influence their biological properties and applications.

Biological Activity of 1001178-90-0

(R)-tert-Butyl 4-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazine-1-carboxylate has been studied for its biological activity, particularly in relation to its potential as a therapeutic agent. Research indicates that compounds with similar structures may exhibit:

  • Antitumor Activity: Some derivatives have shown promise in inhibiting tumor growth.
  • Antiviral Properties: Certain analogs have been evaluated for their effectiveness against viral infections.

These biological activities make it a compound of interest in drug development.

Retrosynthesis analysis of 1001178-90-0

  • Route#1

    Cas:57260-71-6
    Cas:1001178-90-0