2-Selenouracil

C4H3N2OSe — CID 6327781

IUPAC—
SMILESO=c1ccnc([Se])[nH]1
InChIInChI=1S/C4H3N2OSe/c7-3-1-2-5-4(8)6-3/h1-2H,(H,5,6,7)
InChIKeyDORROJBNUAGYSZ-UHFFFAOYSA-N
MW174.04 g/mol
LogP-1.44
Rot. Bonds

About 2-Selenouracil

2-Selenouracil (PubChem CID 6327781) has the molecular formula C4H3N2OSe and a molecular weight of 174.04 g/mol.

Molecular Properties

Compound Name2-Selenouracil
PubChem CID6327781
Molecular FormulaC4H3N2OSe
Molecular Weight174.04 g/mol
Exact Mass174.94
IUPAC Name—
SMILESO=c1ccnc([Se])[nH]1
InChIInChI=1S/C4H3N2OSe/c7-3-1-2-5-4(8)6-3/h1-2H,(H,5,6,7)
InChIKeyDORROJBNUAGYSZ-UHFFFAOYSA-N
XLogP-1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxypyrimidine
CID 20695
Isocytosine
CID 66950
Uracil-1-yl
CID 150747
Hydroxy-fluoropyrimidine
CID 21791026
2-Methoxypyrimidin-4(3H)-one
CID 13698448
2-Chloropyrimidin-4(3H)-one
CID 13678541
Pyrimidin-4-one hydrochloride
CID 18767932
Sodium 6-oxo-1,6-dihydropyrimidine-2-thiolate
CID 23713982
6-oxo-1H-pyrimidine-2-thiolate
CID 46949900
Hydroxyhydroperoxypyrimidine
CID 129678328
1H-pyrimidin-6-one;hydrobromide
CID 17851070
2-Bromopyrimidin-4-ol
CID 55283247

Frequently Asked Questions

What is the IUPAC name of 2-Selenouracil?
The IUPAC name of 2-Selenouracil (CID 6327781) is not available.
What is the SMILES notation for 2-Selenouracil?
The canonical SMILES for 2-Selenouracil is O=c1ccnc([Se])[nH]1.
What is the InChIKey of 2-Selenouracil?
The InChIKey is DORROJBNUAGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N2OSe/c7-3-1-2-5-4(8)6-3/h1-2H,(H,5,6,7).
What are the key properties of 2-Selenouracil?
2-Selenouracil has a molecular weight of 174.04 g/mol, XLogP of -1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Selenouracil is sourced from PubChem (CID 6327781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).