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

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Related Compounds

(2-amino-7H-purin-6-yl)methanol
CID 11593490
6-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-7H-purine-2,6-diamine
CID 114785101
6-(3-methylbut-2-enyl)-7H-purin-2-amine
CID 67252826
2-amino-1-(2-piperidin-1-ylethyl)-7H-purin-6-one
CID 118455615
6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
CID 118699160
6-(3,6-dihydro-2H-pyridin-1-yl)-7H-purin-2-amine
CID 104623927
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
1-(2-amino-7H-purin-6-yl)piperidine-3-carboxamide
CID 115669348
4-(piperidin-1-ylmethyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 4006409
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360

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).