2-(6-aminopurin-9-yl)ethylazanium

C7H11N6+ — CID 5248631

IUPAC2-(6-aminopurin-9-yl)ethylazanium
SMILESNc1ncnc2c1ncn2CC[NH3+]
InChIInChI=1S/C7H10N6/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2,8H2,(H2,9,10,11)/p+1
InChIKeyWWGYBDUMTIQRLK-UHFFFAOYSA-O
MW179.21 g/mol
LogP-1.35
Rot. Bonds2

About 2-(6-aminopurin-9-yl)ethylazanium

2-(6-aminopurin-9-yl)ethylazanium (PubChem CID 5248631) has the molecular formula C7H11N6+ and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)ethylazanium.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)ethylazanium
PubChem CID5248631
Molecular FormulaC7H11N6+
Molecular Weight179.21 g/mol
Exact Mass179.10
IUPAC Name2-(6-aminopurin-9-yl)ethylazanium
SMILESNc1ncnc2c1ncn2CC[NH3+]
InChIInChI=1S/C7H10N6/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2,8H2,(H2,9,10,11)/p+1
InChIKeyWWGYBDUMTIQRLK-UHFFFAOYSA-O
XLogP-1.35
TPSA97.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-aminopurin-9-yl)ethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

9-nonylpurin-6-amine
CID 3816519
9-(10-bromodecyl)purin-6-amine
CID 10831944
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-pent-4-ynylpurin-6-amine
CID 91098853
9-(2-azidoethyl)purin-6-amine
CID 15216696
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
9-[5-[5-(6-aminopurin-9-yl)pentyldisulfanyl]pentyl]purin-6-amine
CID 102169719
9-[2-(2-phosphanylethoxy)ethyl]purin-6-amine
CID 151693053
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-[(E)-4-chlorobut-2-enyl]purin-6-amine
CID 14408818
2-[[2-(6-aminopurin-9-yl)acetyl]amino]ethylazanium
CID 4184659
9-[2-(azetidin-3-yl)ethyl]purin-6-amine
CID 107391226

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)ethylazanium?
The IUPAC name of 2-(6-aminopurin-9-yl)ethylazanium (CID 5248631) is 2-(6-aminopurin-9-yl)ethylazanium.
What is the SMILES notation for 2-(6-aminopurin-9-yl)ethylazanium?
The canonical SMILES for 2-(6-aminopurin-9-yl)ethylazanium is Nc1ncnc2c1ncn2CC[NH3+].
What is the InChIKey of 2-(6-aminopurin-9-yl)ethylazanium?
The InChIKey is WWGYBDUMTIQRLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N6/c8-1-2-13-4-12-5-6(9)10-3-11-7(5)13/h3-4H,1-2,8H2,(H2,9,10,11)/p+1.
What are the key properties of 2-(6-aminopurin-9-yl)ethylazanium?
2-(6-aminopurin-9-yl)ethylazanium has a molecular weight of 179.21 g/mol, XLogP of -1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)ethylazanium is sourced from PubChem (CID 5248631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).