2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium

C15H19N6+ — CID 7069656

IUPAC2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium
SMILESNc1ncnc2c1ncn2CC[NH2+]CCc1ccccc1
InChIInChI=1S/C15H18N6/c16-14-13-15(19-10-18-14)21(11-20-13)9-8-17-7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2,(H2,16,18,19)/p+1
InChIKeyOSYGQVBMAWMOPA-UHFFFAOYSA-O
MW283.36 g/mol
LogP0.21
Rot. Bonds6

About 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium

2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium (PubChem CID 7069656) has the molecular formula C15H19N6+ and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium
PubChem CID7069656
Molecular FormulaC15H19N6+
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium
SMILESNc1ncnc2c1ncn2CC[NH2+]CCc1ccccc1
InChIInChI=1S/C15H18N6/c16-14-13-15(19-10-18-14)21(11-20-13)9-8-17-7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2,(H2,16,18,19)/p+1
InChIKeyOSYGQVBMAWMOPA-UHFFFAOYSA-O
XLogP0.21
TPSA86.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[2-(2-chlorophenyl)ethyl]purin-6-amine
CID 46188689
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
9-(6-anilinohexyl)purin-6-amine
CID 67346454
9-[2-[bis(phenylmethoxy)phosphorylmethoxy]ethyl]purin-6-amine
CID 10389201
9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
CID 91300880
9-[2-(diphenylphosphanylamino)ethyl]purin-6-amine;gold(1+);chloride;dihydrate
CID 139155221
9-[3-[4-[1-[4-[3-(6-aminopurin-9-yl)propoxy]phenyl]-2,2-diphenylethenyl]phenoxy]propyl]purin-6-amine
CID 102026182
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-nonylpurin-6-amine
CID 3816519
4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489
9-[3-(4-benzhydrylpiperazin-1-yl)propyl]purin-6-amine
CID 10251936

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium?
The IUPAC name of 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium (CID 7069656) is 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium.
What is the SMILES notation for 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium?
The canonical SMILES for 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium is Nc1ncnc2c1ncn2CC[NH2+]CCc1ccccc1.
What is the InChIKey of 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium?
The InChIKey is OSYGQVBMAWMOPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N6/c16-14-13-15(19-10-18-14)21(11-20-13)9-8-17-7-6-12-4-2-1-3-5-12/h1-5,10-11,17H,6-9H2,(H2,16,18,19)/p+1.
What are the key properties of 2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium?
2-(6-aminopurin-9-yl)ethyl-(2-phenylethyl)azanium has a molecular weight of 283.36 g/mol, XLogP of 0.21, 6 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)ethyl-(2-phenylethyl)azanium is sourced from PubChem (CID 7069656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).