6-(4-ethylpiperazin-1-yl)-9-propylpurine

C14H22N6 — CID 155561410

IUPAC6-(4-ethylpiperazin-1-yl)-9-propylpurine
SMILESCCCn1cnc2c(N3CCN(CC)CC3)ncnc21
InChIInChI=1S/C14H22N6/c1-3-5-20-11-17-12-13(15-10-16-14(12)20)19-8-6-18(4-2)7-9-19/h10-11H,3-9H2,1-2H3
InChIKeyWSONEQZITKVFHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.38
Rot. Bonds4

About 6-(4-ethylpiperazin-1-yl)-9-propylpurine

6-(4-ethylpiperazin-1-yl)-9-propylpurine (PubChem CID 155561410) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-9-propylpurine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-9-propylpurine
PubChem CID155561410
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name6-(4-ethylpiperazin-1-yl)-9-propylpurine
SMILESCCCn1cnc2c(N3CCN(CC)CC3)ncnc21
InChIInChI=1S/C14H22N6/c1-3-5-20-11-17-12-13(15-10-16-14(12)20)19-8-6-18(4-2)7-9-19/h10-11H,3-9H2,1-2H3
InChIKeyWSONEQZITKVFHV-UHFFFAOYSA-N
XLogP1.38
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-propylpurine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-9-propylpurine (CID 155561410) is 6-(4-ethylpiperazin-1-yl)-9-propylpurine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-9-propylpurine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-9-propylpurine is CCCn1cnc2c(N3CCN(CC)CC3)ncnc21.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-9-propylpurine?
The InChIKey is WSONEQZITKVFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-3-5-20-11-17-12-13(15-10-16-14(12)20)19-8-6-18(4-2)7-9-19/h10-11H,3-9H2,1-2H3.
What are the key properties of 6-(4-ethylpiperazin-1-yl)-9-propylpurine?
6-(4-ethylpiperazin-1-yl)-9-propylpurine has a molecular weight of 274.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-9-propylpurine is sourced from PubChem (CID 155561410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).