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

C20H35N9 — CID 155095259

IUPAC6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N)nc32)CC1
InChIInChI=1S/C20H35N9/c1-3-25-8-10-27(11-9-25)6-5-7-29-16-22-17-18(23-20(21)24-19(17)29)28-14-12-26(4-2)13-15-28/h16H,3-15H2,1-2H3,(H2,21,23,24)
InChIKeyWMFBRECXBGCIEB-UHFFFAOYSA-N
MW401.56 g/mol
LogP0.58
Rot. Bonds7

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

6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine (PubChem CID 155095259) has the molecular formula C20H35N9 and a molecular weight of 401.56 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
PubChem CID155095259
Molecular FormulaC20H35N9
Molecular Weight401.56 g/mol
Exact Mass401.30
IUPAC Name6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N)nc32)CC1
InChIInChI=1S/C20H35N9/c1-3-25-8-10-27(11-9-25)6-5-7-29-16-22-17-18(23-20(21)24-19(17)29)28-14-12-26(4-2)13-15-28/h16H,3-15H2,1-2H3,(H2,21,23,24)
InChIKeyWMFBRECXBGCIEB-UHFFFAOYSA-N
XLogP0.58
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 50.58
H-Bond Donors ≤ 51
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]purin-2-amine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine (CID 155095259) is 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine is CCN1CCN(CCCn2cnc3c(N4CCN(CC)CC4)nc(N)nc32)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The InChIKey is WMFBRECXBGCIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N9/c1-3-25-8-10-27(11-9-25)6-5-7-29-16-22-17-18(23-20(21)24-19(17)29)28-14-12-26(4-2)13-15-28/h16H,3-15H2,1-2H3,(H2,21,23,24).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine has a molecular weight of 401.56 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 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]purin-2-amine is sourced from PubChem (CID 155095259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).