3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium

C11H20N7+ — CID 140616341

IUPAC3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H20N7/c1-18(2,3)6-4-5-13-9-8-10(15-7-14-8)17-11(12)16-9/h7H,4-6H2,1-3H3,(H4,12,13,14,15,16,17)/q+1
InChIKeyCNPVXNWAXUCJCC-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.44
Rot. Bonds5

About 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium

3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium (PubChem CID 140616341) has the molecular formula C11H20N7+ and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
PubChem CID140616341
Molecular FormulaC11H20N7+
Molecular Weight250.33 g/mol
Exact Mass250.18
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
SMILESC[N+](C)(C)CCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H20N7/c1-18(2,3)6-4-5-13-9-8-10(15-7-14-8)17-11(12)16-9/h7H,4-6H2,1-3H3,(H4,12,13,14,15,16,17)/q+1
InChIKeyCNPVXNWAXUCJCC-UHFFFAOYSA-N
XLogP0.44
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
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-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-N-[2-(4-methoxyphenyl)ethyl]-7H-purine-2,6-diamine
CID 39377702
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium (CID 140616341) is 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium is C[N+](C)(C)CCCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium?
The InChIKey is CNPVXNWAXUCJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N7/c1-18(2,3)6-4-5-13-9-8-10(15-7-14-8)17-11(12)16-9/h7H,4-6H2,1-3H3,(H4,12,13,14,15,16,17)/q+1.
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium?
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium has a molecular weight of 250.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium is sourced from PubChem (CID 140616341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).