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

C14H22N6 — CID 155536050

IUPAC9-[3-(4-ethylpiperazin-1-yl)propyl]purine
SMILESCCN1CCN(CCCn2cnc3cncnc32)CC1
InChIInChI=1S/C14H22N6/c1-2-18-6-8-19(9-7-18)4-3-5-20-12-17-13-10-15-11-16-14(13)20/h10-12H,2-9H2,1H3
InChIKeyGDOBNUVUJBUMFH-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.85
Rot. Bonds5

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

9-[3-(4-ethylpiperazin-1-yl)propyl]purine (PubChem CID 155536050) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 9-[3-(4-ethylpiperazin-1-yl)propyl]purine.

Molecular Properties

Compound Name9-[3-(4-ethylpiperazin-1-yl)propyl]purine
PubChem CID155536050
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name9-[3-(4-ethylpiperazin-1-yl)propyl]purine
SMILESCCN1CCN(CCCn2cnc3cncnc32)CC1
InChIInChI=1S/C14H22N6/c1-2-18-6-8-19(9-7-18)4-3-5-20-12-17-13-10-15-11-16-14(13)20/h10-12H,2-9H2,1H3
InChIKeyGDOBNUVUJBUMFH-UHFFFAOYSA-N
XLogP0.85
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Pteridine
CID 1043
9-Ethyladenine
CID 7
2-chloro-9-methyl-9H-purine
CID 7147173
[2-(Purin-9-yl)ethyl]-bisphosphonic acid
CID 25140171
9-Propyl-9h-purin-6-amine
CID 247436
N,N,9-Trimethyl-9H-purin-6-amine
CID 221105
2,4-Pteridinediamine, 6-methyl-
CID 254916
6-(piperazin-1-yl)-9-propyl-9H-purine
CID 46228441
9-Butyl-9H-purin-6-amine
CID 75929
9-isopropyl-9H-purin-6-amine
CID 414707
9-(sec-Butyl)-9H-adenine
CID 44572293
9-[2-(1-piperidinyl)ethyl]-9H-purin-6-amine
CID 908253

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]purine (CID 155536050) is 9-[3-(4-ethylpiperazin-1-yl)propyl]purine.
What is the SMILES notation for 9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The canonical SMILES for 9-[3-(4-ethylpiperazin-1-yl)propyl]purine is CCN1CCN(CCCn2cnc3cncnc32)CC1.
What is the InChIKey of 9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
The InChIKey is GDOBNUVUJBUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-2-18-6-8-19(9-7-18)4-3-5-20-12-17-13-10-15-11-16-14(13)20/h10-12H,2-9H2,1H3.
What are the key properties of 9-[3-(4-ethylpiperazin-1-yl)propyl]purine?
9-[3-(4-ethylpiperazin-1-yl)propyl]purine has a molecular weight of 274.37 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-ethylpiperazin-1-yl)propyl]purine is sourced from PubChem (CID 155536050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).