6-Methyl-2-selenouracil

C5H5N2OSe — CID 135738686

IUPAC—
SMILESCc1cc(=O)[nH]c([Se])n1
InChIInChI=1S/C5H5N2OSe/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H,6,7,8)
InChIKeyIVEONZIEHVAPFE-UHFFFAOYSA-N
MW188.07 g/mol
LogP-1.13
Rot. Bonds

About 6-Methyl-2-selenouracil

6-Methyl-2-selenouracil (PubChem CID 135738686) has the molecular formula C5H5N2OSe and a molecular weight of 188.07 g/mol.

Molecular Properties

Compound Name6-Methyl-2-selenouracil
PubChem CID135738686
Molecular FormulaC5H5N2OSe
Molecular Weight188.07 g/mol
Exact Mass188.96
IUPAC Name—
SMILESCc1cc(=O)[nH]c([Se])n1
InChIInChI=1S/C5H5N2OSe/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H,6,7,8)
InChIKeyIVEONZIEHVAPFE-UHFFFAOYSA-N
XLogP-1.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 5-1.13
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 6-Methyl-2-selenouracil?
The IUPAC name of 6-Methyl-2-selenouracil (CID 135738686) is not available.
What is the SMILES notation for 6-Methyl-2-selenouracil?
The canonical SMILES for 6-Methyl-2-selenouracil is Cc1cc(=O)[nH]c([Se])n1.
What is the InChIKey of 6-Methyl-2-selenouracil?
The InChIKey is IVEONZIEHVAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2OSe/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H,6,7,8).
What are the key properties of 6-Methyl-2-selenouracil?
6-Methyl-2-selenouracil has a molecular weight of 188.07 g/mol, XLogP of -1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-Methyl-2-selenouracil is sourced from PubChem (CID 135738686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).