4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine

C24H38N6O — CID 69026616

IUPAC4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine
SMILESCc1cc(OCCCN2CCN(C3CC(C(C)(C)C)C3c3ccncn3)CC2)n(C)n1
InChIInChI=1S/C24H38N6O/c1-18-15-22(28(5)27-18)31-14-6-9-29-10-12-30(13-11-29)21-16-19(24(2,3)4)23(21)20-7-8-25-17-26-20/h7-8,15,17,19,21,23H,6,9-14,16H2,1-5H3
InChIKeyRKAMGFAEKRDXBJ-UHFFFAOYSA-N
MW426.61 g/mol
LogP3.12
Rot. Bonds7

About 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine

4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine (PubChem CID 69026616) has the molecular formula C24H38N6O and a molecular weight of 426.61 g/mol. Its IUPAC name is 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine.

Molecular Properties

Compound Name4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine
PubChem CID69026616
Molecular FormulaC24H38N6O
Molecular Weight426.61 g/mol
Exact Mass426.31
IUPAC Name4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine
SMILESCc1cc(OCCCN2CCN(C3CC(C(C)(C)C)C3c3ccncn3)CC2)n(C)n1
InChIInChI=1S/C24H38N6O/c1-18-15-22(28(5)27-18)31-14-6-9-29-10-12-30(13-11-29)21-16-19(24(2,3)4)23(21)20-7-8-25-17-26-20/h7-8,15,17,19,21,23H,6,9-14,16H2,1-5H3
InChIKeyRKAMGFAEKRDXBJ-UHFFFAOYSA-N
XLogP3.12
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine?
The IUPAC name of 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine (CID 69026616) is 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine.
What is the SMILES notation for 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine?
The canonical SMILES for 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine is Cc1cc(OCCCN2CCN(C3CC(C(C)(C)C)C3c3ccncn3)CC2)n(C)n1.
What is the InChIKey of 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine?
The InChIKey is RKAMGFAEKRDXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O/c1-18-15-22(28(5)27-18)31-14-6-9-29-10-12-30(13-11-29)21-16-19(24(2,3)4)23(21)20-7-8-25-17-26-20/h7-8,15,17,19,21,23H,6,9-14,16H2,1-5H3.
What are the key properties of 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine?
4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine has a molecular weight of 426.61 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-4-[4-[3-(2,5-dimethylpyrazol-3-yl)oxypropyl]piperazin-1-yl]cyclobutyl]pyrimidine is sourced from PubChem (CID 69026616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).