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

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

CAS No.: 1001180-45-5
M. Wt: 546.07600
M. Fa: C28H37ClFN5O3
InChI Key: FJZNFQTYLHVIML-VXGBXAGGSA-N

Names and Identifiers of 1001180-45-5

CAS Number

1001180-45-5

IUPAC Name

tert-butyl 4-[(5R,7R)-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-VXGBXAGGSA-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 1001180-45-5

Acidity coefficient

13.12±0.40(Predicted)

Boiling Point

496.8±45.0 °C(Predicted)

Density

1.227±0.06 g/cm3(Predicted)

Exact Mass

545.25700

LogP

4.18310

Molecular Formula

C28H37ClFN5O3

Molecular Weight

546.07600

PSA

90.82000

Retrosynthesis analysis of 1001180-45-5

  • Route#1

    Cas:1001180-21-7
    Cas:1001180-45-5