6,9-dimethyl-2H-purin-2-ide;tungsten

C7H7N4W- — CID 58896347

IUPAC6,9-dimethyl-2H-purin-2-ide;tungsten
SMILESCc1n[c-]nc2c1ncn2C.[W]
InChIInChI=1S/C7H7N4.W/c1-5-6-7(9-3-8-5)11(2)4-10-6;/h4H,1-2H3;/q-1;
InChIKeyXNAMSRDOAQXVAK-UHFFFAOYSA-N
MW331.00 g/mol
LogP0.47
Rot. Bonds

About 6,9-dimethyl-2H-purin-2-ide;tungsten

6,9-dimethyl-2H-purin-2-ide;tungsten (PubChem CID 58896347) has the molecular formula C7H7N4W- and a molecular weight of 331.00 g/mol. Its IUPAC name is 6,9-dimethyl-2H-purin-2-ide;tungsten.

Molecular Properties

Compound Name6,9-dimethyl-2H-purin-2-ide;tungsten
PubChem CID58896347
Molecular FormulaC7H7N4W-
Molecular Weight331.00 g/mol
Exact Mass331.02
IUPAC Name6,9-dimethyl-2H-purin-2-ide;tungsten
SMILESCc1n[c-]nc2c1ncn2C.[W]
InChIInChI=1S/C7H7N4.W/c1-5-6-7(9-3-8-5)11(2)4-10-6;/h4H,1-2H3;/q-1;
InChIKeyXNAMSRDOAQXVAK-UHFFFAOYSA-N
XLogP0.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.00
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6,9-dimethyl-2H-purin-2-ide;tungsten?
The IUPAC name of 6,9-dimethyl-2H-purin-2-ide;tungsten (CID 58896347) is 6,9-dimethyl-2H-purin-2-ide;tungsten.
What is the SMILES notation for 6,9-dimethyl-2H-purin-2-ide;tungsten?
The canonical SMILES for 6,9-dimethyl-2H-purin-2-ide;tungsten is Cc1n[c-]nc2c1ncn2C.[W].
What is the InChIKey of 6,9-dimethyl-2H-purin-2-ide;tungsten?
The InChIKey is XNAMSRDOAQXVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4.W/c1-5-6-7(9-3-8-5)11(2)4-10-6;/h4H,1-2H3;/q-1;.
What are the key properties of 6,9-dimethyl-2H-purin-2-ide;tungsten?
6,9-dimethyl-2H-purin-2-ide;tungsten has a molecular weight of 331.00 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-2H-purin-2-ide;tungsten is sourced from PubChem (CID 58896347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).