2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium

C11H19N6O+ — CID 681975

IUPAC2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CCn1cnc2c(N)ncnc21
InChIInChI=1S/C11H19N6O/c1-17(2,5-6-18)4-3-16-8-15-9-10(12)13-7-14-11(9)16/h7-8,18H,3-6H2,1-2H3,(H2,12,13,14)/q+1
InChIKeyYEGYPEPBHBRXIL-UHFFFAOYSA-N
MW251.31 g/mol
LogP-0.52
Rot. Bonds5

About 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium

2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 681975) has the molecular formula C11H19N6O+ and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID681975
Molecular FormulaC11H19N6O+
Molecular Weight251.31 g/mol
Exact Mass251.16
IUPAC Name2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium
SMILESC[N+](C)(CCO)CCn1cnc2c(N)ncnc21
InChIInChI=1S/C11H19N6O/c1-17(2,5-6-18)4-3-16-8-15-9-10(12)13-7-14-11(9)16/h7-8,18H,3-6H2,1-2H3,(H2,12,13,14)/q+1
InChIKeyYEGYPEPBHBRXIL-UHFFFAOYSA-N
XLogP-0.52
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-aminopurin-9-yl)-2-methylbutan-2-ol
CID 79360393
2-(6-aminopurin-9-yl)ethylazanium
CID 5248631
[3-(6-aminopurin-9-yl)propyl-dimethylsilyl]methanol
CID 10061415
3-[3-(6-aminopurin-9-yl)propylsulfanyl]butan-1-ol
CID 66336137
9-nonylpurin-6-amine
CID 3816519
9-[2-[methoxy(methyl)amino]ethyl]purin-6-amine;hydrochloride
CID 88596334
9-(2-cyclopentylethyl)purin-6-amine
CID 123505932
2-[(6-aminopurin-9-yl)methyl]propane-1,2,3-triol
CID 14283773
1-(6-aminopurin-9-yl)propan-2-one
CID 14258026
(6-aminopurin-9-yl)methyl-trifluoroboranuide
CID 63703097
9-(10-bromodecyl)purin-6-amine
CID 10831944
9-[2-(methoxymethylamino)ethyl]purin-6-amine
CID 67932489

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium (CID 681975) is 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium is C[N+](C)(CCO)CCn1cnc2c(N)ncnc21.
What is the InChIKey of 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is YEGYPEPBHBRXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N6O/c1-17(2,5-6-18)4-3-16-8-15-9-10(12)13-7-14-11(9)16/h7-8,18H,3-6H2,1-2H3,(H2,12,13,14)/q+1.
What are the key properties of 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium?
2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 251.31 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)ethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 681975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).