9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine

C16H27N7 — CID 155552908

IUPAC9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
SMILESCCN1CCN(CCCn2cnc3c(N(C)C)ncnc32)CC1
InChIInChI=1S/C16H27N7/c1-4-21-8-10-22(11-9-21)6-5-7-23-13-19-14-15(20(2)3)17-12-18-16(14)23/h12-13H,4-11H2,1-3H3
InChIKeyJGNOQUNBIQJUEU-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.92
Rot. Bonds6

About 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine

9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine (PubChem CID 155552908) has the molecular formula C16H27N7 and a molecular weight of 317.44 g/mol. Its IUPAC name is 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine.

Molecular Properties

Compound Name9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
PubChem CID155552908
Molecular FormulaC16H27N7
Molecular Weight317.44 g/mol
Exact Mass317.23
IUPAC Name9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine
SMILESCCN1CCN(CCCn2cnc3c(N(C)C)ncnc32)CC1
InChIInChI=1S/C16H27N7/c1-4-21-8-10-22(11-9-21)6-5-7-23-13-19-14-15(20(2)3)17-12-18-16(14)23/h12-13H,4-11H2,1-3H3
InChIKeyJGNOQUNBIQJUEU-UHFFFAOYSA-N
XLogP0.92
TPSA53.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
CID 62898747
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
6-methoxy-9-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]purine
CID 46903494
6-chloro-9-[3-(4-phenylpiperazin-1-yl)propyl]purine
CID 21493411
[(1S,3R)-3-[[6-(dimethylamino)purin-9-yl]methyl]cyclopentyl]methanol
CID 57270357
6-methoxy-9-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]purine
CID 46903593
3-[6-(dimethylamino)purin-9-yl]-2-hydroxypropanoic acid
CID 11230471
5-[6-(dimethylamino)purin-9-yl]pent-3-yn-1-ol
CID 18687077
N,N-dimethyl-9-[(2-methylphenyl)methyl]purin-6-amine
CID 14022452
N-benzyl-9-ethyl-N-methylpurin-6-amine
CID 163348599
1-amino-3-[6-(dimethylamino)purin-9-yl]propan-2-ol;hydrochloride
CID 54600646
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine?
The IUPAC name of 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine (CID 155552908) is 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine.
What is the SMILES notation for 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine?
The canonical SMILES for 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine is CCN1CCN(CCCn2cnc3c(N(C)C)ncnc32)CC1.
What is the InChIKey of 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine?
The InChIKey is JGNOQUNBIQJUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7/c1-4-21-8-10-22(11-9-21)6-5-7-23-13-19-14-15(20(2)3)17-12-18-16(14)23/h12-13H,4-11H2,1-3H3.
What are the key properties of 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine?
9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine has a molecular weight of 317.44 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-ethylpiperazin-1-yl)propyl]-N,N-dimethylpurin-6-amine is sourced from PubChem (CID 155552908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).