6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine

C24H41N9 — CID 142588387

IUPAC6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N4CCCC4)nc32)CC1
InChIInChI=1S/C24H41N9/c1-3-28-12-14-30(15-13-28)8-7-11-33-20-25-21-22(31-18-16-29(4-2)17-19-31)26-24(27-23(21)33)32-9-5-6-10-32/h20H,3-19H2,1-2H3
InChIKeyNABFTEMVMVSCQX-UHFFFAOYSA-N
MW455.66 g/mol
LogP1.60
Rot. Bonds8

About 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine

6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine (PubChem CID 142588387) has the molecular formula C24H41N9 and a molecular weight of 455.66 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine
PubChem CID142588387
Molecular FormulaC24H41N9
Molecular Weight455.66 g/mol
Exact Mass455.35
IUPAC Name6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N4CCCC4)nc32)CC1
InChIInChI=1S/C24H41N9/c1-3-28-12-14-30(15-13-28)8-7-11-33-20-25-21-22(31-18-16-29(4-2)17-19-31)26-24(27-23(21)33)32-9-5-6-10-32/h20H,3-19H2,1-2H3
InChIKeyNABFTEMVMVSCQX-UHFFFAOYSA-N
XLogP1.60
TPSA59.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.66
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine (CID 142588387) is 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine is CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N4CCCC4)nc32)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine?
The InChIKey is NABFTEMVMVSCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N9/c1-3-28-12-14-30(15-13-28)8-7-11-33-20-25-21-22(31-18-16-29(4-2)17-19-31)26-24(27-23(21)33)32-9-5-6-10-32/h20H,3-19H2,1-2H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine?
6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine has a molecular weight of 455.66 g/mol, XLogP of 1.60, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrrolidin-1-ylpurine is sourced from PubChem (CID 142588387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).