1,3,7-trimethyl-6-selanylidenepurin-2-one

C8H10N4OSe — CID 102362024

IUPAC1,3,7-trimethyl-6-selanylidenepurin-2-one
SMILESCn1c(=[Se])c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4OSe/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChIKeyFRBLKEAMORXTKA-UHFFFAOYSA-N
MW257.15 g/mol
LogP-0.69
Rot. Bonds

About 1,3,7-trimethyl-6-selanylidenepurin-2-one

1,3,7-trimethyl-6-selanylidenepurin-2-one (PubChem CID 102362024) has the molecular formula C8H10N4OSe and a molecular weight of 257.15 g/mol. Its IUPAC name is 1,3,7-trimethyl-6-selanylidenepurin-2-one.

Molecular Properties

Compound Name1,3,7-trimethyl-6-selanylidenepurin-2-one
PubChem CID102362024
Molecular FormulaC8H10N4OSe
Molecular Weight257.15 g/mol
Exact Mass258.00
IUPAC Name1,3,7-trimethyl-6-selanylidenepurin-2-one
SMILESCn1c(=[Se])c2c(ncn2C)n(C)c1=O
InChIInChI=1S/C8H10N4OSe/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3
InChIKeyFRBLKEAMORXTKA-UHFFFAOYSA-N
XLogP-0.69
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1,3,7-trimethyl-6-selanylidenepurin-2-one?
The IUPAC name of 1,3,7-trimethyl-6-selanylidenepurin-2-one (CID 102362024) is 1,3,7-trimethyl-6-selanylidenepurin-2-one.
What is the SMILES notation for 1,3,7-trimethyl-6-selanylidenepurin-2-one?
The canonical SMILES for 1,3,7-trimethyl-6-selanylidenepurin-2-one is Cn1c(=[Se])c2c(ncn2C)n(C)c1=O.
What is the InChIKey of 1,3,7-trimethyl-6-selanylidenepurin-2-one?
The InChIKey is FRBLKEAMORXTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OSe/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3.
What are the key properties of 1,3,7-trimethyl-6-selanylidenepurin-2-one?
1,3,7-trimethyl-6-selanylidenepurin-2-one has a molecular weight of 257.15 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-6-selanylidenepurin-2-one is sourced from PubChem (CID 102362024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).