N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine

C14H23N7 — CID 2155089

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine
SMILESCCN1CCN(CCCNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H23N7/c1-2-20-6-8-21(9-7-20)5-3-4-15-13-12-14(17-10-16-12)19-11-18-13/h10-11H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKeyCPCBSYAULHSQPE-UHFFFAOYSA-N
MW289.39 g/mol
LogP0.79
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine

N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine (PubChem CID 2155089) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine
PubChem CID2155089
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine
SMILESCCN1CCN(CCCNc2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C14H23N7/c1-2-20-6-8-21(9-7-20)5-3-4-15-13-12-14(17-10-16-12)19-11-18-13/h10-11H,2-9H2,1H3,(H2,15,16,17,18,19)
InChIKeyCPCBSYAULHSQPE-UHFFFAOYSA-N
XLogP0.79
TPSA72.97 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 ≤ 50.79
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

Adenine
CID 190
2,6-Diaminopurine
CID 30976
2-Aminopurine
CID 9955
Purine
CID 1044
6-Dimethylaminopurine
CID 3134
Isopentenyladenine
CID 92180
N6-Methyladenine
CID 67955
6-Hydroxyaminopurine
CID 21876
7-Methyladenine
CID 71593
2-Fluoroadenine
CID 12790
Adenine hydrochloride
CID 76219
N6-Hydroxy-9H-purine-2,6-diamine
CID 101513

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine (CID 2155089) is N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine is CCN1CCN(CCCNc2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine?
The InChIKey is CPCBSYAULHSQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-2-20-6-8-21(9-7-20)5-3-4-15-13-12-14(17-10-16-12)19-11-18-13/h10-11H,2-9H2,1H3,(H2,15,16,17,18,19).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine?
N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine has a molecular weight of 289.39 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]-7H-purin-6-amine is sourced from PubChem (CID 2155089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).