2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine

C24H36N6O — CID 69026618

IUPAC2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1nc(C2CC2)cc(N2CCN(CCCOc3ccnn3C3CC3)CC2)n1
InChIInChI=1S/C24H36N6O/c1-24(2,3)23-26-20(18-5-6-18)17-21(27-23)29-14-12-28(13-15-29)11-4-16-31-22-9-10-25-30(22)19-7-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKeyHWFQYWAKZZWMOL-UHFFFAOYSA-N
MW424.59 g/mol
LogP3.77
Rot. Bonds8

About 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine

2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine (PubChem CID 69026618) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine
PubChem CID69026618
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine
SMILESCC(C)(C)c1nc(C2CC2)cc(N2CCN(CCCOc3ccnn3C3CC3)CC2)n1
InChIInChI=1S/C24H36N6O/c1-24(2,3)23-26-20(18-5-6-18)17-21(27-23)29-14-12-28(13-15-29)11-4-16-31-22-9-10-25-30(22)19-7-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3
InChIKeyHWFQYWAKZZWMOL-UHFFFAOYSA-N
XLogP3.77
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine (CID 69026618) is 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine is CC(C)(C)c1nc(C2CC2)cc(N2CCN(CCCOc3ccnn3C3CC3)CC2)n1.
What is the InChIKey of 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine?
The InChIKey is HWFQYWAKZZWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-24(2,3)23-26-20(18-5-6-18)17-21(27-23)29-14-12-28(13-15-29)11-4-16-31-22-9-10-25-30(22)19-7-8-19/h9-10,17-19H,4-8,11-16H2,1-3H3.
What are the key properties of 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine?
2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine has a molecular weight of 424.59 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclopropyl-6-[4-[3-(2-cyclopropylpyrazol-3-yl)oxypropyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 69026618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).