8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine

C9H14N6O2 — CID 68931898

IUPAC8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine
SMILESCOc1nc2nc(NC(C)OC)nc(N)c2[nH]1
InChIInChI=1S/C9H14N6O2/c1-4(16-2)11-8-13-6(10)5-7(14-8)15-9(12-5)17-3/h4H,1-3H3,(H4,10,11,12,13,14,15)
InChIKeyVRMMKMODWWSPNW-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.35
Rot. Bonds4

About 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine

8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine (PubChem CID 68931898) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine
PubChem CID68931898
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine
SMILESCOc1nc2nc(NC(C)OC)nc(N)c2[nH]1
InChIInChI=1S/C9H14N6O2/c1-4(16-2)11-8-13-6(10)5-7(14-8)15-9(12-5)17-3/h4H,1-3H3,(H4,10,11,12,13,14,15)
InChIKeyVRMMKMODWWSPNW-UHFFFAOYSA-N
XLogP0.35
TPSA110.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine?
The IUPAC name of 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine (CID 68931898) is 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine is COc1nc2nc(NC(C)OC)nc(N)c2[nH]1.
What is the InChIKey of 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine?
The InChIKey is VRMMKMODWWSPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-4(16-2)11-8-13-6(10)5-7(14-8)15-9(12-5)17-3/h4H,1-3H3,(H4,10,11,12,13,14,15).
What are the key properties of 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine?
8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine has a molecular weight of 238.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-N-(1-methoxyethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 68931898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).