6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine

C13H20N6 — CID 104623232

IUPAC6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
SMILESNc1nc(NCCCC2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c14-13-18-11(10-12(19-13)17-8-16-10)15-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H4,14,15,16,17,18,19)
InChIKeyRJUUXDCSZCGEHZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.32
Rot. Bonds5

About 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine

6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine (PubChem CID 104623232) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
PubChem CID104623232
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
SMILESNc1nc(NCCCC2CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6/c14-13-18-11(10-12(19-13)17-8-16-10)15-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H4,14,15,16,17,18,19)
InChIKeyRJUUXDCSZCGEHZ-UHFFFAOYSA-N
XLogP2.32
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
CID 115669383
6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623942
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
N-(3-cyclopropylpropyl)-7H-purin-6-amine
CID 115637547
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
6-N-[2-(4-methylpiperazin-1-yl)ethyl]-7H-purine-2,6-diamine
CID 104623212
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine (CID 104623232) is 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine is Nc1nc(NCCCC2CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine?
The InChIKey is RJUUXDCSZCGEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c14-13-18-11(10-12(19-13)17-8-16-10)15-7-3-6-9-4-1-2-5-9/h8-9H,1-7H2,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine?
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 104623232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).