6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine

C23H39N9 — CID 149302414

IUPAC6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1
InChIInChI=1S/C23H39N9/c1-2-28-10-12-29(13-11-28)8-5-9-32-18-25-20-21(26-23(24)27-22(20)32)31-16-14-30(15-17-31)19-6-3-4-7-19/h18-19H,2-17H2,1H3,(H2,24,26,27)
InChIKeyXXAGOPCOQGXRCQ-UHFFFAOYSA-N
MW441.63 g/mol
LogP1.50
Rot. Bonds7

About 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine

6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine (PubChem CID 149302414) has the molecular formula C23H39N9 and a molecular weight of 441.63 g/mol. Its IUPAC name is 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine.

Molecular Properties

Compound Name6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
PubChem CID149302414
Molecular FormulaC23H39N9
Molecular Weight441.63 g/mol
Exact Mass441.33
IUPAC Name6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1
InChIInChI=1S/C23H39N9/c1-2-28-10-12-29(13-11-28)8-5-9-32-18-25-20-21(26-23(24)27-22(20)32)31-16-14-30(15-17-31)19-6-3-4-7-19/h18-19H,2-17H2,1H3,(H2,24,26,27)
InChIKeyXXAGOPCOQGXRCQ-UHFFFAOYSA-N
XLogP1.50
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The IUPAC name of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine (CID 149302414) is 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine.
What is the SMILES notation for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The canonical SMILES for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine is CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1.
What is the InChIKey of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The InChIKey is XXAGOPCOQGXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N9/c1-2-28-10-12-29(13-11-28)8-5-9-32-18-25-20-21(26-23(24)27-22(20)32)31-16-14-30(15-17-31)19-6-3-4-7-19/h18-19H,2-17H2,1H3,(H2,24,26,27).
What are the key properties of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine has a molecular weight of 441.63 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine is sourced from PubChem (CID 149302414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).