6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione

C13H11N3O2Se — CID 13433991

IUPAC6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)c2n[se]cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C13H11N3O2Se/c1-2-15-12(17)11-10(8-19-14-11)16(13(15)18)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyQIHRGPKNQFZHHW-UHFFFAOYSA-N
MW320.21 g/mol
LogP0.62
Rot. Bonds2

About 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione

6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione (PubChem CID 13433991) has the molecular formula C13H11N3O2Se and a molecular weight of 320.21 g/mol. Its IUPAC name is 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione
PubChem CID13433991
Molecular FormulaC13H11N3O2Se
Molecular Weight320.21 g/mol
Exact Mass321.00
IUPAC Name6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione
SMILESCCn1c(=O)c2n[se]cc2n(-c2ccccc2)c1=O
InChIInChI=1S/C13H11N3O2Se/c1-2-15-12(17)11-10(8-19-14-11)16(13(15)18)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyQIHRGPKNQFZHHW-UHFFFAOYSA-N
XLogP0.62
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 50.62
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 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione?
The IUPAC name of 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione (CID 13433991) is 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione.
What is the SMILES notation for 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione?
The canonical SMILES for 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione is CCn1c(=O)c2n[se]cc2n(-c2ccccc2)c1=O.
What is the InChIKey of 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione?
The InChIKey is QIHRGPKNQFZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2Se/c1-2-15-12(17)11-10(8-19-14-11)16(13(15)18)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione?
6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione has a molecular weight of 320.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenyl-[1,2]selenazolo[4,3-d]pyrimidine-5,7-dione is sourced from PubChem (CID 13433991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).