2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine

C8H12N5O2+ — CID 123348046

IUPAC2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine
SMILESCOCCOc1nc(N)c2[nH]c[nH+]c2n1
InChIInChI=1S/C8H11N5O2/c1-14-2-3-15-8-12-6(9)5-7(13-8)11-4-10-5/h4H,2-3H2,1H3,(H3,9,10,11,12,13)/p+1
InChIKeyIBZRWAWJSFLALK-UHFFFAOYSA-O
MW210.22 g/mol
LogP-0.62
Rot. Bonds4

About 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine

2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine (PubChem CID 123348046) has the molecular formula C8H12N5O2+ and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine
PubChem CID123348046
Molecular FormulaC8H12N5O2+
Molecular Weight210.22 g/mol
Exact Mass210.10
IUPAC Name2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine
SMILESCOCCOc1nc(N)c2[nH]c[nH+]c2n1
InChIInChI=1S/C8H11N5O2/c1-14-2-3-15-8-12-6(9)5-7(13-8)11-4-10-5/h4H,2-3H2,1H3,(H3,9,10,11,12,13)/p+1
InChIKeyIBZRWAWJSFLALK-UHFFFAOYSA-O
XLogP-0.62
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.62
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

2-butoxy-7H-purin-9-ium-6-amine
CID 123806555
[2-[(6-amino-7H-purin-9-ium-2-yl)oxy]-1-hydroxyethoxy]methylphosphonic acid
CID 123198290
7-benzyl-2-(2-methoxyethoxy)-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 118900041
(6-amino-7H-purin-9-ium-2-yl)-phosphonooxyphosphinic acid
CID 123235148
methyl 2-[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate
CID 23158703
4-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 113427586
4-methoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1,3,5-triazin-2-amine
CID 104568131
8-methoxy-2-(2-methoxyethoxy)-9-methylpurin-6-amine
CID 143018174
2-(2-methoxyethoxy)-1,3,5-triazine
CID 154184593
[2-(2-methoxyethoxy)-6-methylpyrimidin-4-yl]methanamine
CID 107542476
6-amino-9-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methoxyethoxy)-7H-purin-8-one;ethane
CID 143605693
methyl (3E,5E)-5-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]-3-methylhepta-3,5-dienoate
CID 142878316

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine?
The IUPAC name of 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine (CID 123348046) is 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine.
What is the SMILES notation for 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine?
The canonical SMILES for 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine is COCCOc1nc(N)c2[nH]c[nH+]c2n1.
What is the InChIKey of 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine?
The InChIKey is IBZRWAWJSFLALK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H11N5O2/c1-14-2-3-15-8-12-6(9)5-7(13-8)11-4-10-5/h4H,2-3H2,1H3,(H3,9,10,11,12,13)/p+1.
What are the key properties of 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine?
2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine has a molecular weight of 210.22 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-7H-purin-9-ium-6-amine is sourced from PubChem (CID 123348046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).