Selenoxotetrahydropyrimidine

C4H5N2Se — CID 138858457

IUPAC—
SMILES[Se]C1=NCC=CN1
InChIInChI=1S/C4H5N2Se/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H,5,6)
InChIKeyWGIKBSQFJZVHDA-UHFFFAOYSA-N
MW160.06 g/mol
LogP-0.37
Rot. Bonds

About Selenoxotetrahydropyrimidine

Selenoxotetrahydropyrimidine (PubChem CID 138858457) has the molecular formula C4H5N2Se and a molecular weight of 160.06 g/mol.

Molecular Properties

Compound NameSelenoxotetrahydropyrimidine
PubChem CID138858457
Molecular FormulaC4H5N2Se
Molecular Weight160.06 g/mol
Exact Mass160.96
IUPAC Name—
SMILES[Se]C1=NCC=CN1
InChIInChI=1S/C4H5N2Se/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H,5,6)
InChIKeyWGIKBSQFJZVHDA-UHFFFAOYSA-N
XLogP-0.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.06
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 Selenoxotetrahydropyrimidine?
The IUPAC name of Selenoxotetrahydropyrimidine (CID 138858457) is not available.
What is the SMILES notation for Selenoxotetrahydropyrimidine?
The canonical SMILES for Selenoxotetrahydropyrimidine is [Se]C1=NCC=CN1.
What is the InChIKey of Selenoxotetrahydropyrimidine?
The InChIKey is WGIKBSQFJZVHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2Se/c7-4-5-2-1-3-6-4/h1-2H,3H2,(H,5,6).
What are the key properties of Selenoxotetrahydropyrimidine?
Selenoxotetrahydropyrimidine has a molecular weight of 160.06 g/mol, XLogP of -0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Selenoxotetrahydropyrimidine is sourced from PubChem (CID 138858457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).