2-benzylselanyl-4-methyl-1H-pyrimidin-6-one

C12H12N2OSe — CID 136704053

IUPAC2-benzylselanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([Se]Cc2ccccc2)n1
InChIInChI=1S/C12H12N2OSe/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyFWEMIBZRKAEXAK-UHFFFAOYSA-N
MW279.20 g/mol
LogP0.61
Rot. Bonds3

About 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one

2-benzylselanyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136704053) has the molecular formula C12H12N2OSe and a molecular weight of 279.20 g/mol. Its IUPAC name is 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-benzylselanyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136704053
Molecular FormulaC12H12N2OSe
Molecular Weight279.20 g/mol
Exact Mass280.01
IUPAC Name2-benzylselanyl-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([Se]Cc2ccccc2)n1
InChIInChI=1S/C12H12N2OSe/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15)
InChIKeyFWEMIBZRKAEXAK-UHFFFAOYSA-N
XLogP0.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 50.61
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-methyl-2-propylselanyl-1H-pyrimidin-6-one
CID 136704051
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
4-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135592196
2-benzyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135417572
2-[(Z)-2-hydroxy-2-phenylethenyl]-4-methyl-1H-pyrimidin-6-one
CID 137224250
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate
CID 166785590
4-methyl-2-(3-phenylprop-2-enylsulfanyl)-1H-pyrimidin-6-one
CID 135495034
2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)isoindole-1,3-dione
CID 135463212
6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one
CID 13298034
4-methyl-2-[(1S)-2-oxo-1,2-diphenylethyl]sulfanyl-1H-pyrimidin-6-one
CID 135585315

Frequently Asked Questions

What is the IUPAC name of 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one (CID 136704053) is 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([Se]Cc2ccccc2)n1.
What is the InChIKey of 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is FWEMIBZRKAEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OSe/c1-9-7-11(15)14-12(13-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,14,15).
What are the key properties of 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one?
2-benzylselanyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 279.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylselanyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).