N-(2-methoxyethyl)-7H-purin-6-amine

C8H11N5O — CID 2058777

IUPACN-(2-methoxyethyl)-7H-purin-6-amine
SMILESCOCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-14-3-2-9-7-6-8(11-4-10-6)13-5-12-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyKXWIXAUYMFNOKC-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.41
Rot. Bonds4

About N-(2-methoxyethyl)-7H-purin-6-amine

N-(2-methoxyethyl)-7H-purin-6-amine (PubChem CID 2058777) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7H-purin-6-amine
PubChem CID2058777
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC NameN-(2-methoxyethyl)-7H-purin-6-amine
SMILESCOCCNc1ncnc2nc[nH]c12
InChIInChI=1S/C8H11N5O/c1-14-3-2-9-7-6-8(11-4-10-6)13-5-12-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13)
InChIKeyKXWIXAUYMFNOKC-UHFFFAOYSA-N
XLogP0.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7H-purin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-7H-purin-6-amine (CID 2058777) is N-(2-methoxyethyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-7H-purin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-7H-purin-6-amine is COCCNc1ncnc2nc[nH]c12.
What is the InChIKey of N-(2-methoxyethyl)-7H-purin-6-amine?
The InChIKey is KXWIXAUYMFNOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-14-3-2-9-7-6-8(11-4-10-6)13-5-12-7/h4-5H,2-3H2,1H3,(H2,9,10,11,12,13).
What are the key properties of N-(2-methoxyethyl)-7H-purin-6-amine?
N-(2-methoxyethyl)-7H-purin-6-amine has a molecular weight of 193.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7H-purin-6-amine is sourced from PubChem (CID 2058777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).