magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide

C18H15BrMgN2O2 — CID 134870954

IUPACmagnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide
SMILESO=c1[c-]cn(Cc2ccccc2)c(=O)n1Cc1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C18H15N2O2.BrH.Mg/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16;;/h1-10,12H,13-14H2;1H;/q-1;;+2/p-1
InChIKeyKEQHLBQMXIUMED-UHFFFAOYSA-M
MW395.54 g/mol
LogP-1.47
Rot. Bonds4

About magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide

magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide (PubChem CID 134870954) has the molecular formula C18H15BrMgN2O2 and a molecular weight of 395.54 g/mol. Its IUPAC name is magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide.

Molecular Properties

Compound Namemagnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide
PubChem CID134870954
Molecular FormulaC18H15BrMgN2O2
Molecular Weight395.54 g/mol
Exact Mass394.02
IUPAC Namemagnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide
SMILESO=c1[c-]cn(Cc2ccccc2)c(=O)n1Cc1ccccc1.[Br-].[Mg+2]
InChIInChI=1S/C18H15N2O2.BrH.Mg/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16;;/h1-10,12H,13-14H2;1H;/q-1;;+2/p-1
InChIKeyKEQHLBQMXIUMED-UHFFFAOYSA-M
XLogP-1.47
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1,3-dibenzyl-5-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]pyrimidine-2,4-dione
CID 10188830
1,3-dibenzyl-4-[(E)-3-hydroxyprop-1-enyl]imidazol-2-one
CID 11324666
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
CID 106934085
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1-benzyl-2,5-dichloropyrrole
CID 12713084
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
5-(1-benzofuran-2-yl)-1,3-dibenzylpyrimidine-2,4-dione
CID 162413109

Frequently Asked Questions

What is the IUPAC name of magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide?
The IUPAC name of magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide (CID 134870954) is magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide.
What is the SMILES notation for magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide?
The canonical SMILES for magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide is O=c1[c-]cn(Cc2ccccc2)c(=O)n1Cc1ccccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide?
The InChIKey is KEQHLBQMXIUMED-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15N2O2.BrH.Mg/c21-17-11-12-19(13-15-7-3-1-4-8-15)18(22)20(17)14-16-9-5-2-6-10-16;;/h1-10,12H,13-14H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide?
magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide has a molecular weight of 395.54 g/mol, XLogP of -1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1,3-dibenzyl-5H-pyrimidin-5-ide-2,4-dione;bromide is sourced from PubChem (CID 134870954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).