5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine

C14H23N7 — CID 43252544

IUPAC5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H23N7/c15-4-2-1-3-5-20-6-8-21(9-7-20)14-12-13(17-10-16-12)18-11-19-14/h10-11H,1-9,15H2,(H,16,17,18,19)
InChIKeyAEMTXDBJGDCLLZ-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.60
Rot. Bonds6

About 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine

5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 43252544) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
PubChem CID43252544
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H23N7/c15-4-2-1-3-5-20-6-8-21(9-7-20)14-12-13(17-10-16-12)18-11-19-14/h10-11H,1-9,15H2,(H,16,17,18,19)
InChIKeyAEMTXDBJGDCLLZ-UHFFFAOYSA-N
XLogP0.60
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(7H-purin-6-yl)piperazin-1-yl]propanoate
CID 78982809
4-[4-(5-aminopentyl)piperazin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136972671
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]-7H-purine
CID 77092371
6-(4-benzyl-1,4-diazepan-1-yl)-7H-purine
CID 44776748
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
6-[4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-7H-purine
CID 77087305
N-(2-fluorophenyl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetamide
CID 133417199
1-(7H-purin-6-yl)piperidine-4-carbonitrile
CID 48933380
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine (CID 43252544) is 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine is NCCCCCN1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is AEMTXDBJGDCLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c15-4-2-1-3-5-20-6-8-21(9-7-20)14-12-13(17-10-16-12)18-11-19-14/h10-11H,1-9,15H2,(H,16,17,18,19).
What are the key properties of 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine?
5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 289.39 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7H-purin-6-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43252544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).