6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine

C20H34N8 — CID 155551508

IUPAC6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)ncnc32)CC1
InChIInChI=1S/C20H34N8/c1-3-24-8-10-26(11-9-24)6-5-7-28-17-23-18-19(21-16-22-20(18)28)27-14-12-25(4-2)13-15-27/h16-17H,3-15H2,1-2H3
InChIKeyCJBVZAGKNUADLH-UHFFFAOYSA-N
MW386.55 g/mol
LogP1.00
Rot. Bonds7

About 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine

6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine (PubChem CID 155551508) has the molecular formula C20H34N8 and a molecular weight of 386.55 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
PubChem CID155551508
Molecular FormulaC20H34N8
Molecular Weight386.55 g/mol
Exact Mass386.29
IUPAC Name6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)ncnc32)CC1
InChIInChI=1S/C20H34N8/c1-3-24-8-10-26(11-9-24)6-5-7-28-17-23-18-19(21-16-22-20(18)28)27-14-12-25(4-2)13-15-27/h16-17H,3-15H2,1-2H3
InChIKeyCJBVZAGKNUADLH-UHFFFAOYSA-N
XLogP1.00
TPSA56.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine 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 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine (CID 155551508) is 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine is CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)ncnc32)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The InChIKey is CJBVZAGKNUADLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N8/c1-3-24-8-10-26(11-9-24)6-5-7-28-17-23-18-19(21-16-22-20(18)28)27-14-12-25(4-2)13-15-27/h16-17H,3-15H2,1-2H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine has a molecular weight of 386.55 g/mol, XLogP of 1.00, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purine is sourced from PubChem (CID 155551508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).