9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine

C15H23N7 — CID 44591063

IUPAC9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine
SMILESCN1CCN(Nc2ncnc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C15H23N7/c1-20-6-8-21(9-7-20)19-14-13-15(17-10-16-14)22(11-18-13)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyOSOOYPDAJRKGLV-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.52
Rot. Bonds3

About 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine

9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine (PubChem CID 44591063) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine.

Molecular Properties

Compound Name9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine
PubChem CID44591063
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine
SMILESCN1CCN(Nc2ncnc3c2ncn3C2CCCC2)CC1
InChIInChI=1S/C15H23N7/c1-20-6-8-21(9-7-20)19-14-13-15(17-10-16-14)22(11-18-13)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H,16,17,19)
InChIKeyOSOOYPDAJRKGLV-UHFFFAOYSA-N
XLogP1.52
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

9-Ethyladenine
CID 7
9-Cyclopentyladenine
CID 12852
N-Cyclopentyl-9-methyl-9H-purin-6-amine
CID 4401
6-(cyclohexylamino)-9-[2-(4-methylpiperazin-1-yl)-ethyl]-9H-purine-2-carbonitrile
CID 5288616
9-Propyl-9h-purin-6-amine
CID 247436
8-Bromo-9-cyclopentyl-9H-adenine
CID 12016633
N-Cyclohexyl-9-methyl-9H-purin-6-amine
CID 15693939
1-(9H-purin-6-yl)piperidin-4-amine
CID 24701731
9-Butyl-9H-purin-6-amine
CID 75929
9-Cyclohexyl-9H-purin-6-amine
CID 95121
N-cyclopentyl-9-ethyl-9H-purin-6-amine
CID 15693948
6-(piperazin-1-yl)-9-propyl-9H-purine
CID 46228441

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine?
The IUPAC name of 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine (CID 44591063) is 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine.
What is the SMILES notation for 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine?
The canonical SMILES for 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine is CN1CCN(Nc2ncnc3c2ncn3C2CCCC2)CC1.
What is the InChIKey of 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine?
The InChIKey is OSOOYPDAJRKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-20-6-8-21(9-7-20)19-14-13-15(17-10-16-14)22(11-18-13)12-4-2-3-5-12/h10-12H,2-9H2,1H3,(H,16,17,19).
What are the key properties of 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine?
9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine has a molecular weight of 301.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-N-(4-methylpiperazin-1-yl)purin-6-amine is sourced from PubChem (CID 44591063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).