9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine

C13H21N7 — CID 62898747

IUPAC9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
SMILESCN1CCN(CCCn2cnc3c(N)ncnc32)CC1
InChIInChI=1S/C13H21N7/c1-18-5-7-19(8-6-18)3-2-4-20-10-17-11-12(14)15-9-16-13(11)20/h9-10H,2-8H2,1H3,(H2,14,15,16)
InChIKeyXZKXPYHAYOBISS-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.05
Rot. Bonds4

About 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine

9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine (PubChem CID 62898747) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine.

Molecular Properties

Compound Name9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
PubChem CID62898747
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine
SMILESCN1CCN(CCCn2cnc3c(N)ncnc32)CC1
InChIInChI=1S/C13H21N7/c1-18-5-7-19(8-6-18)3-2-4-20-10-17-11-12(14)15-9-16-13(11)20/h9-10H,2-8H2,1H3,(H2,14,15,16)
InChIKeyXZKXPYHAYOBISS-UHFFFAOYSA-N
XLogP0.05
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
CID 10251936
9-[3-(3-propan-2-ylpyrrolidin-1-yl)propyl]purin-6-amine
CID 115688477
9-[3-(3-methoxypyrrolidin-1-yl)propyl]purin-6-amine
CID 103533908
9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[3-[cyclopropylmethyl(methyl)amino]propyl]purin-6-amine
CID 62897430
9-[3-(3,3-dimethylmorpholin-4-yl)propyl]purin-6-amine
CID 62897812
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-pent-4-ynylpurin-6-amine
CID 91098853
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
(2S)-2-amino-5-(6-aminopurin-9-yl)pentanoic acid
CID 15518562

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine?
The IUPAC name of 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine (CID 62898747) is 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine.
What is the SMILES notation for 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine?
The canonical SMILES for 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine is CN1CCN(CCCn2cnc3c(N)ncnc32)CC1.
What is the InChIKey of 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine?
The InChIKey is XZKXPYHAYOBISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-18-5-7-19(8-6-18)3-2-4-20-10-17-11-12(14)15-9-16-13(11)20/h9-10H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine?
9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine has a molecular weight of 275.36 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-methylpiperazin-1-yl)propyl]purin-6-amine is sourced from PubChem (CID 62898747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).