2-ethylselanyl-7H-purine

C7H8N4Se — CID 87266635

IUPAC2-ethylselanyl-7H-purine
SMILESCC[Se]c1ncc2[nH]cnc2n1
InChIInChI=1S/C7H8N4Se/c1-2-12-7-8-3-5-6(11-7)10-4-9-5/h3-4H,2H2,1H3,(H,8,9,10,11)
InChIKeyUPHFLQSUAWVPDJ-UHFFFAOYSA-N
MW227.13 g/mol
LogP0.12
Rot. Bonds2

About 2-ethylselanyl-7H-purine

2-ethylselanyl-7H-purine (PubChem CID 87266635) has the molecular formula C7H8N4Se and a molecular weight of 227.13 g/mol. Its IUPAC name is 2-ethylselanyl-7H-purine.

Molecular Properties

Compound Name2-ethylselanyl-7H-purine
PubChem CID87266635
Molecular FormulaC7H8N4Se
Molecular Weight227.13 g/mol
Exact Mass227.99
IUPAC Name2-ethylselanyl-7H-purine
SMILESCC[Se]c1ncc2[nH]cnc2n1
InChIInChI=1S/C7H8N4Se/c1-2-12-7-8-3-5-6(11-7)10-4-9-5/h3-4H,2H2,1H3,(H,8,9,10,11)
InChIKeyUPHFLQSUAWVPDJ-UHFFFAOYSA-N
XLogP0.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-ethylselanyl-7H-purine?
The IUPAC name of 2-ethylselanyl-7H-purine (CID 87266635) is 2-ethylselanyl-7H-purine.
What is the SMILES notation for 2-ethylselanyl-7H-purine?
The canonical SMILES for 2-ethylselanyl-7H-purine is CC[Se]c1ncc2[nH]cnc2n1.
What is the InChIKey of 2-ethylselanyl-7H-purine?
The InChIKey is UPHFLQSUAWVPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4Se/c1-2-12-7-8-3-5-6(11-7)10-4-9-5/h3-4H,2H2,1H3,(H,8,9,10,11).
What are the key properties of 2-ethylselanyl-7H-purine?
2-ethylselanyl-7H-purine has a molecular weight of 227.13 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylselanyl-7H-purine is sourced from PubChem (CID 87266635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).