magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide

C28H23BrCl2MgN6O4 — CID 158474540

About magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide

magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide (PubChem CID 158474540) has the molecular formula C28H23BrCl2MgN6O4 and a molecular weight of 682.65 g/mol. Its IUPAC name is magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide.

Molecular Properties

• Compound Name: magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide
• PubChem CID: 158474540
• Molecular Formula: C28H23BrCl2MgN6O4
• Molecular Weight: 682.65 g/mol
• Exact Mass: 680.02
• IUPAC Name: magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide
• SMILES: CC(O)c1cc2ncc(Cl)n2c(=O)n1-c1ccccc1.O=Cc1cc2ncc(Cl)n2c(=O)n1-c1ccccc1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C14H12ClN3O2.C13H8ClN3O2.CH3.BrH.Mg/c1-9(19)11-7-13-16-8-12(15)18(13)14(20)17(11)10-5-3-2-4-6-10;14-11-7-15-12-6-10(8-18)16(13(19)17(11)12)9-4-2-1-3-5-9;;;/h2-9,19H,1H3;1-8H;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: UOHQDMKBOSFKNB-UHFFFAOYSA-M
• XLogP: 1.22
• TPSA: 115.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	682.65
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide?

The IUPAC name of magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide (CID 158474540) is magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide.

What is the SMILES notation for magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide?

The canonical SMILES for magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide is CC(O)c1cc2ncc(Cl)n2c(=O)n1-c1ccccc1.O=Cc1cc2ncc(Cl)n2c(=O)n1-c1ccccc1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide?

The InChIKey is UOHQDMKBOSFKNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12ClN3O2.C13H8ClN3O2.CH3.BrH.Mg/c1-9(19)11-7-13-16-8-12(15)18(13)14(20)17(11)10-5-3-2-4-6-10;14-11-7-15-12-6-10(8-18)16(13(19)17(11)12)9-4-2-1-3-5-9;;;/h2-9,19H,1H3;1-8H;1H3;1H;/q;;-1;;+2/p-1.

What are the key properties of magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide?

magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide has a molecular weight of 682.65 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;3-chloro-7-(1-hydroxyethyl)-6-phenylimidazo[1,2-c]pyrimidin-5-one;3-chloro-5-oxo-6-phenylimidazo[1,2-c]pyrimidine-7-carbaldehyde;bromide is sourced from PubChem (CID 158474540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).