N-cyclopentyl-9-methylpurin-6-amine

C11H15N5 — CID 4401

IUPACN-cyclopentyl-9-methylpurin-6-amine
SMILESCn1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKeyLZMRVYPPUVMKOI-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.72
Rot. Bonds2

About N-cyclopentyl-9-methylpurin-6-amine

N-cyclopentyl-9-methylpurin-6-amine (PubChem CID 4401) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-cyclopentyl-9-methylpurin-6-amine.

Molecular Properties

Compound NameN-cyclopentyl-9-methylpurin-6-amine
PubChem CID4401
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-cyclopentyl-9-methylpurin-6-amine
SMILESCn1cnc2c(NC3CCCC3)ncnc21
InChIInChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15)
InChIKeyLZMRVYPPUVMKOI-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-9-methylpurin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-9-methylpurin-6-amine?
The IUPAC name of N-cyclopentyl-9-methylpurin-6-amine (CID 4401) is N-cyclopentyl-9-methylpurin-6-amine.
What is the SMILES notation for N-cyclopentyl-9-methylpurin-6-amine?
The canonical SMILES for N-cyclopentyl-9-methylpurin-6-amine is Cn1cnc2c(NC3CCCC3)ncnc21.
What is the InChIKey of N-cyclopentyl-9-methylpurin-6-amine?
The InChIKey is LZMRVYPPUVMKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-16-7-14-9-10(12-6-13-11(9)16)15-8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,12,13,15).
What are the key properties of N-cyclopentyl-9-methylpurin-6-amine?
N-cyclopentyl-9-methylpurin-6-amine has a molecular weight of 217.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-9-methylpurin-6-amine is sourced from PubChem (CID 4401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).