6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine

C15H24N6 — CID 126818343

IUPAC6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
SMILESCCC1CN(CC)CCN1c1ncnc2c1ncn2CC
InChIInChI=1S/C15H24N6/c1-4-12-9-19(5-2)7-8-21(12)15-13-14(16-10-17-15)20(6-3)11-18-13/h10-12H,4-9H2,1-3H3
InChIKeyFJZSMTXZZOSDMH-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.77
Rot. Bonds4

About 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine

6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine (PubChem CID 126818343) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine.

Molecular Properties

Compound Name6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
PubChem CID126818343
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
SMILESCCC1CN(CC)CCN1c1ncnc2c1ncn2CC
InChIInChI=1S/C15H24N6/c1-4-12-9-19(5-2)7-8-21(12)15-13-14(16-10-17-15)20(6-3)11-18-13/h10-12H,4-9H2,1-3H3
InChIKeyFJZSMTXZZOSDMH-UHFFFAOYSA-N
XLogP1.77
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
CID 124872852
[(2S,4S)-1-(9-ethylpurin-6-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979586
6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
CID 122152956
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
CID 124735733
(4aR,7aS)-1-(9-ethylpurin-6-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one;hydroiodide
CID 166207068
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
CID 163344774
9-ethyl-6-[4-[(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]piperazin-1-yl]purine
CID 171997251
5-[[5-(9-ethylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344571
6-[(2R)-3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl]-9-ethylpurine
CID 124886979

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine?
The IUPAC name of 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine (CID 126818343) is 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine.
What is the SMILES notation for 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine?
The canonical SMILES for 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine is CCC1CN(CC)CCN1c1ncnc2c1ncn2CC.
What is the InChIKey of 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine?
The InChIKey is FJZSMTXZZOSDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-12-9-19(5-2)7-8-21(12)15-13-14(16-10-17-15)20(6-3)11-18-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine?
6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine has a molecular weight of 288.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine is sourced from PubChem (CID 126818343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).