3,7-dimethylpurine-6-selone

C7H8N4Se — CID 615087

IUPAC3,7-dimethylpurine-6-selone
SMILESCn1cnc(=[Se])c2c1ncn2C
InChIInChI=1S/C7H8N4Se/c1-10-3-8-6-5(10)7(12)9-4-11(6)2/h3-4H,1-2H3
InChIKeyGQPFWHDSYAACSQ-UHFFFAOYSA-N
MW227.13 g/mol
LogP0.01
Rot. Bonds

About 3,7-dimethylpurine-6-selone

3,7-dimethylpurine-6-selone (PubChem CID 615087) has the molecular formula C7H8N4Se and a molecular weight of 227.13 g/mol. Its IUPAC name is 3,7-dimethylpurine-6-selone.

Molecular Properties

Compound Name3,7-dimethylpurine-6-selone
PubChem CID615087
Molecular FormulaC7H8N4Se
Molecular Weight227.13 g/mol
Exact Mass227.99
IUPAC Name3,7-dimethylpurine-6-selone
SMILESCn1cnc(=[Se])c2c1ncn2C
InChIInChI=1S/C7H8N4Se/c1-10-3-8-6-5(10)7(12)9-4-11(6)2/h3-4H,1-2H3
InChIKeyGQPFWHDSYAACSQ-UHFFFAOYSA-N
XLogP0.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethylpurine-6-selone?
The IUPAC name of 3,7-dimethylpurine-6-selone (CID 615087) is 3,7-dimethylpurine-6-selone.
What is the SMILES notation for 3,7-dimethylpurine-6-selone?
The canonical SMILES for 3,7-dimethylpurine-6-selone is Cn1cnc(=[Se])c2c1ncn2C.
What is the InChIKey of 3,7-dimethylpurine-6-selone?
The InChIKey is GQPFWHDSYAACSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4Se/c1-10-3-8-6-5(10)7(12)9-4-11(6)2/h3-4H,1-2H3.
What are the key properties of 3,7-dimethylpurine-6-selone?
3,7-dimethylpurine-6-selone has a molecular weight of 227.13 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethylpurine-6-selone is sourced from PubChem (CID 615087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).