5-methoxy-2-selanylidenepyrimidine-1-carboxamide

C6H7N3O2Se — CID 59306202

IUPAC5-methoxy-2-selanylidenepyrimidine-1-carboxamide
SMILESCOc1cnc(=[Se])n(C(N)=O)c1
InChIInChI=1S/C6H7N3O2Se/c1-11-4-2-8-6(12)9(3-4)5(7)10/h2-3H,1H3,(H2,7,10)
InChIKeyJAPVBNMCAINWQG-UHFFFAOYSA-N
MW232.10 g/mol
LogP-0.48
Rot. Bonds1

About 5-methoxy-2-selanylidenepyrimidine-1-carboxamide

5-methoxy-2-selanylidenepyrimidine-1-carboxamide (PubChem CID 59306202) has the molecular formula C6H7N3O2Se and a molecular weight of 232.10 g/mol. Its IUPAC name is 5-methoxy-2-selanylidenepyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-selanylidenepyrimidine-1-carboxamide
PubChem CID59306202
Molecular FormulaC6H7N3O2Se
Molecular Weight232.10 g/mol
Exact Mass232.97
IUPAC Name5-methoxy-2-selanylidenepyrimidine-1-carboxamide
SMILESCOc1cnc(=[Se])n(C(N)=O)c1
InChIInChI=1S/C6H7N3O2Se/c1-11-4-2-8-6(12)9(3-4)5(7)10/h2-3H,1H3,(H2,7,10)
InChIKeyJAPVBNMCAINWQG-UHFFFAOYSA-N
XLogP-0.48
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
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 5-methoxy-2-selanylidenepyrimidine-1-carboxamide?
The IUPAC name of 5-methoxy-2-selanylidenepyrimidine-1-carboxamide (CID 59306202) is 5-methoxy-2-selanylidenepyrimidine-1-carboxamide.
What is the SMILES notation for 5-methoxy-2-selanylidenepyrimidine-1-carboxamide?
The canonical SMILES for 5-methoxy-2-selanylidenepyrimidine-1-carboxamide is COc1cnc(=[Se])n(C(N)=O)c1.
What is the InChIKey of 5-methoxy-2-selanylidenepyrimidine-1-carboxamide?
The InChIKey is JAPVBNMCAINWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2Se/c1-11-4-2-8-6(12)9(3-4)5(7)10/h2-3H,1H3,(H2,7,10).
What are the key properties of 5-methoxy-2-selanylidenepyrimidine-1-carboxamide?
5-methoxy-2-selanylidenepyrimidine-1-carboxamide has a molecular weight of 232.10 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-selanylidenepyrimidine-1-carboxamide is sourced from PubChem (CID 59306202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).