6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride

C10H15ClN6 — CID 173115368

IUPAC6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride
SMILESCl.Nc1nc(CN2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6.ClH/c11-10-14-7(5-16-3-1-2-4-16)8-9(15-10)13-6-12-8;/h6H,1-5H2,(H3,11,12,13,14,15);1H
InChIKeyOISWUEPFIBRJAM-UHFFFAOYSA-N
MW254.72 g/mol
LogP0.95
Rot. Bonds2

About 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride

6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride (PubChem CID 173115368) has the molecular formula C10H15ClN6 and a molecular weight of 254.72 g/mol. Its IUPAC name is 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride.

Molecular Properties

Compound Name6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride
PubChem CID173115368
Molecular FormulaC10H15ClN6
Molecular Weight254.72 g/mol
Exact Mass254.10
IUPAC Name6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride
SMILESCl.Nc1nc(CN2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6.ClH/c11-10-14-7(5-16-3-1-2-4-16)8-9(15-10)13-6-12-8;/h6H,1-5H2,(H3,11,12,13,14,15);1H
InChIKeyOISWUEPFIBRJAM-UHFFFAOYSA-N
XLogP0.95
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride 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 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride?
The IUPAC name of 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride (CID 173115368) is 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride.
What is the SMILES notation for 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride?
The canonical SMILES for 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride is Cl.Nc1nc(CN2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride?
The InChIKey is OISWUEPFIBRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6.ClH/c11-10-14-7(5-16-3-1-2-4-16)8-9(15-10)13-6-12-8;/h6H,1-5H2,(H3,11,12,13,14,15);1H.
What are the key properties of 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride?
6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride is sourced from PubChem (CID 173115368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).