6-N-(2-methoxyethyl)-7H-purine-2,6-diamine

C8H12N6O — CID 39377580

IUPAC6-N-(2-methoxyethyl)-7H-purine-2,6-diamine
SMILESCOCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H12N6O/c1-15-3-2-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyLYBAFJKHXBGAFZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.01
Rot. Bonds4

About 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine

6-N-(2-methoxyethyl)-7H-purine-2,6-diamine (PubChem CID 39377580) has the molecular formula C8H12N6O and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-7H-purine-2,6-diamine
PubChem CID39377580
Molecular FormulaC8H12N6O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name6-N-(2-methoxyethyl)-7H-purine-2,6-diamine
SMILESCOCCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H12N6O/c1-15-3-2-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14)
InChIKeyLYBAFJKHXBGAFZ-UHFFFAOYSA-N
XLogP-0.01
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine (CID 39377580) is 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine is COCCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine?
The InChIKey is LYBAFJKHXBGAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O/c1-15-3-2-10-6-5-7(12-4-11-5)14-8(9)13-6/h4H,2-3H2,1H3,(H4,9,10,11,12,13,14).
What are the key properties of 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine?
6-N-(2-methoxyethyl)-7H-purine-2,6-diamine has a molecular weight of 208.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 39377580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).