1-(selanylmethyl)pyrimidine-2,4-dione

C5H6N2O2Se — CID 173469434

IUPAC1-(selanylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C[SeH])c(=O)[nH]1
InChIInChI=1S/C5H6N2O2Se/c8-4-1-2-7(3-10)5(9)6-4/h1-2,10H,3H2,(H,6,8,9)
InChIKeyCHAOZOBXXYCPBI-UHFFFAOYSA-N
MW205.07 g/mol
LogP-1.61
Rot. Bonds1

About 1-(selanylmethyl)pyrimidine-2,4-dione

1-(selanylmethyl)pyrimidine-2,4-dione (PubChem CID 173469434) has the molecular formula C5H6N2O2Se and a molecular weight of 205.07 g/mol. Its IUPAC name is 1-(selanylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(selanylmethyl)pyrimidine-2,4-dione
PubChem CID173469434
Molecular FormulaC5H6N2O2Se
Molecular Weight205.07 g/mol
Exact Mass205.96
IUPAC Name1-(selanylmethyl)pyrimidine-2,4-dione
SMILESO=c1ccn(C[SeH])c(=O)[nH]1
InChIInChI=1S/C5H6N2O2Se/c8-4-1-2-7(3-10)5(9)6-4/h1-2,10H,3H2,(H,6,8,9)
InChIKeyCHAOZOBXXYCPBI-UHFFFAOYSA-N
XLogP-1.61
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 5-1.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-(cyclopenta-2,4-dien-1-ylmethyl)pyrimidine-2,4-dione
CID 15398145
1-(2-chloroethoxymethyl)pyrimidine-2,4-dione
CID 10104376
1-[2-(bromomethyl)prop-2-enyl]pyrimidine-2,4-dione
CID 177313030
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
1-(3-methylsulfonylpropyl)pyrimidine-2,4-dione
CID 63810428

Frequently Asked Questions

What is the IUPAC name of 1-(selanylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(selanylmethyl)pyrimidine-2,4-dione (CID 173469434) is 1-(selanylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(selanylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(selanylmethyl)pyrimidine-2,4-dione is O=c1ccn(C[SeH])c(=O)[nH]1.
What is the InChIKey of 1-(selanylmethyl)pyrimidine-2,4-dione?
The InChIKey is CHAOZOBXXYCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2Se/c8-4-1-2-7(3-10)5(9)6-4/h1-2,10H,3H2,(H,6,8,9).
What are the key properties of 1-(selanylmethyl)pyrimidine-2,4-dione?
1-(selanylmethyl)pyrimidine-2,4-dione has a molecular weight of 205.07 g/mol, XLogP of -1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(selanylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 173469434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).