6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)

C7H7N4OY3- — CID 59876971

IUPAC6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)
SMILESCOc1n[c-]nc2c1ncn2C.[Y].[Y].[Y]
InChIInChI=1S/C7H7N4O.3Y/c1-11-4-10-5-6(11)8-3-9-7(5)12-2;;;/h4H,1-2H3;;;/q-1;;;
InChIKeyKBLIXAOQSLFQLL-UHFFFAOYSA-N
MW429.88 g/mol
LogP0.16
Rot. Bonds1

About 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)

6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium) (PubChem CID 59876971) has the molecular formula C7H7N4OY3- and a molecular weight of 429.88 g/mol. Its IUPAC name is 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium).

Molecular Properties

Compound Name6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)
PubChem CID59876971
Molecular FormulaC7H7N4OY3-
Molecular Weight429.88 g/mol
Exact Mass429.78
IUPAC Name6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)
SMILESCOc1n[c-]nc2c1ncn2C.[Y].[Y].[Y]
InChIInChI=1S/C7H7N4O.3Y/c1-11-4-10-5-6(11)8-3-9-7(5)12-2;;;/h4H,1-2H3;;;/q-1;;;
InChIKeyKBLIXAOQSLFQLL-UHFFFAOYSA-N
XLogP0.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.88
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)?
The IUPAC name of 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium) (CID 59876971) is 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium).
What is the SMILES notation for 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)?
The canonical SMILES for 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium) is COc1n[c-]nc2c1ncn2C.[Y].[Y].[Y].
What is the InChIKey of 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)?
The InChIKey is KBLIXAOQSLFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4O.3Y/c1-11-4-10-5-6(11)8-3-9-7(5)12-2;;;/h4H,1-2H3;;;/q-1;;;.
What are the key properties of 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium)?
6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium) has a molecular weight of 429.88 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-methyl-2H-purin-2-ide;tris(yttrium) is sourced from PubChem (CID 59876971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).