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

C23H39N9 — CID 149302414

IUPAC6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1
InChIInChI=1S/C23H39N9/c1-2-28-10-12-29(13-11-28)8-5-9-32-18-25-20-21(26-23(24)27-22(20)32)31-16-14-30(15-17-31)19-6-3-4-7-19/h18-19H,2-17H2,1H3,(H2,24,26,27)
InChIKeyXXAGOPCOQGXRCQ-UHFFFAOYSA-N
MW441.63 g/mol
LogP1.50
Rot. Bonds7

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

6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine (PubChem CID 149302414) has the molecular formula C23H39N9 and a molecular weight of 441.63 g/mol. Its IUPAC name is 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine.

Molecular Properties

Compound Name6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
PubChem CID149302414
Molecular FormulaC23H39N9
Molecular Weight441.63 g/mol
Exact Mass441.33
IUPAC Name6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
SMILESCCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1
InChIInChI=1S/C23H39N9/c1-2-28-10-12-29(13-11-28)8-5-9-32-18-25-20-21(26-23(24)27-22(20)32)31-16-14-30(15-17-31)19-6-3-4-7-19/h18-19H,2-17H2,1H3,(H2,24,26,27)
InChIKeyXXAGOPCOQGXRCQ-UHFFFAOYSA-N
XLogP1.50
TPSA82.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

N-[[4-(diethylamino)phenyl]methyl]-6-(4-ethylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine
CID 142588363
9-(cyclopropylmethyl)-6-piperidin-1-ylpurin-2-amine
CID 174450493
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
[4-[9-[3-(4-ethylpiperazin-1-yl)propyl]-2-[(4-methylphenyl)methylamino]purin-6-yl]piperazin-1-yl]-phenylmethanone
CID 158842805
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
CID 155552908
2-[2-amino-6-(4-methylpiperazin-1-yl)purin-9-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 175141151
3-(2-amino-6-piperazin-1-ylpurin-9-yl)-N-hexyl-N-methylpropanamide
CID 143467207
2-(2-amino-6-piperazin-1-ylpurin-9-yl)ethoxymethylphosphonic acid
CID 10861234
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
2-amino-4-chloro-8-[2-(4-cyclopentylpiperazin-1-yl)ethyl]pteridin-7-one
CID 175225919
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The IUPAC name of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine (CID 149302414) is 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine.
What is the SMILES notation for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The canonical SMILES for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine is CCN1CCN(CCCn2cnc3c(N4CCN(C5CCCC5)CC4)nc(N)nc32)CC1.
What is the InChIKey of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
The InChIKey is XXAGOPCOQGXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N9/c1-2-28-10-12-29(13-11-28)8-5-9-32-18-25-20-21(26-23(24)27-22(20)32)31-16-14-30(15-17-31)19-6-3-4-7-19/h18-19H,2-17H2,1H3,(H2,24,26,27).
What are the key properties of 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine?
6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine has a molecular weight of 441.63 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentylpiperazin-1-yl)-9-[3-(4-ethylpiperazin-1-yl)propyl]purin-2-amine is sourced from PubChem (CID 149302414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).