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

C18H29N7O — CID 155557699

IUPAC4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine
SMILESCCN1CCN(CCCn2cnc3c(N4CCOCC4)ncnc32)CC1
InChIInChI=1S/C18H29N7O/c1-2-22-6-8-23(9-7-22)4-3-5-25-15-21-16-17(19-14-20-18(16)25)24-10-12-26-13-11-24/h14-15H,2-13H2,1H3
InChIKeyNZVGZKFSEZTHTM-UHFFFAOYSA-N
MW359.48 g/mol
LogP0.69
Rot. Bonds6

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

4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine (PubChem CID 155557699) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine.

Molecular Properties

Compound Name4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine
PubChem CID155557699
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC Name4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine
SMILESCCN1CCN(CCCn2cnc3c(N4CCOCC4)ncnc32)CC1
InChIInChI=1S/C18H29N7O/c1-2-22-6-8-23(9-7-22)4-3-5-25-15-21-16-17(19-14-20-18(16)25)24-10-12-26-13-11-24/h14-15H,2-13H2,1H3
InChIKeyNZVGZKFSEZTHTM-UHFFFAOYSA-N
XLogP0.69
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine?
The IUPAC name of 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine (CID 155557699) is 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine.
What is the SMILES notation for 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine?
The canonical SMILES for 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine is CCN1CCN(CCCn2cnc3c(N4CCOCC4)ncnc32)CC1.
What is the InChIKey of 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine?
The InChIKey is NZVGZKFSEZTHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-2-22-6-8-23(9-7-22)4-3-5-25-15-21-16-17(19-14-20-18(16)25)24-10-12-26-13-11-24/h14-15H,2-13H2,1H3.
What are the key properties of 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine?
4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine has a molecular weight of 359.48 g/mol, XLogP of 0.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[3-(4-ethylpiperazin-1-yl)propyl]purin-6-yl]morpholine is sourced from PubChem (CID 155557699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).