5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C5H4N4OSSe — CID 173303618

IUPAC5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESNc1nc2nc([SeH])sc2c(=O)[nH]1
InChIInChI=1S/C5H4N4OSSe/c6-4-7-2-1(3(10)9-4)11-5(12)8-2/h(H4,6,7,8,9,10,12)
InChIKeyQXTCGZKLVAONFC-UHFFFAOYSA-N
MW247.14 g/mol
LogP-1.51
Rot. Bonds

About 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one

5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 173303618) has the molecular formula C5H4N4OSSe and a molecular weight of 247.14 g/mol. Its IUPAC name is 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID173303618
Molecular FormulaC5H4N4OSSe
Molecular Weight247.14 g/mol
Exact Mass247.93
IUPAC Name5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESNc1nc2nc([SeH])sc2c(=O)[nH]1
InChIInChI=1S/C5H4N4OSSe/c6-4-7-2-1(3(10)9-4)11-5(12)8-2/h(H4,6,7,8,9,10,12)
InChIKeyQXTCGZKLVAONFC-UHFFFAOYSA-N
XLogP-1.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.14
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
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 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 173303618) is 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Nc1nc2nc([SeH])sc2c(=O)[nH]1.
What is the InChIKey of 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is QXTCGZKLVAONFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4OSSe/c6-4-7-2-1(3(10)9-4)11-5(12)8-2/h(H4,6,7,8,9,10,12).
What are the key properties of 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 247.14 g/mol, XLogP of -1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-selanyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 173303618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).