sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium

C63H53Cl3N20NaO6Re- — CID 159949224

About sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium

sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium (PubChem CID 159949224) has the molecular formula C63H53Cl3N20NaO6Re- and a molecular weight of 1501.81 g/mol. Its IUPAC name is sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium.

Molecular Properties

• Compound Name: sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium
• PubChem CID: 159949224
• Molecular Formula: C63H53Cl3N20NaO6Re-
• Molecular Weight: 1501.81 g/mol
• Exact Mass: 1500.30
• IUPAC Name: sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium
• SMILES: Clc1ccnc(Cl)n1.Clc1nccc(-n2ccnc2-c2ccccc2)n1.O=[Re](=O)=O.OO.[CH3-].[H-].[Na+].[O-][n+]1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2nccn2-c2ccnc(Nc3cccnc3)n2)cc1
• InChI: InChI=1S/C18H14N6O.C18H14N6.C13H9ClN4.C9H8N2.C4H2Cl2N2.CH3.Na.H2O2.3O.Re.H/c25-23-11-4-7-15(13-23)21-18-20-9-8-16(22-18)24-12-10-19-17(24)14-5-2-1-3-6-14;1-2-5-14(6-3-1)17-20-11-12-24(17)16-8-10-21-18(23-16)22-15-7-4-9-19-13-15;14-13-16-7-6-11(17-13)18-9-8-15-12(18)10-4-2-1-3-5-10;1-2-4-8(5-3-1)9-10-6-7-11-9;5-3-1-2-7-4(6)8-3;;;1-2;;;;;/h1-13H,(H,20,21,22);1-13H,(H,21,22,23);1-9H;1-7H,(H,10,11);1-2H;1H3;;1-2H;;;;;/q;;;;;-1;+1;;;;;;-1
• InChIKey: TXUWKEZRKAUEKF-UHFFFAOYSA-N
• XLogP: 10.24
• TPSA: 340.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.81
LogP ≤ 5	10.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium?

The IUPAC name of sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium (CID 159949224) is sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium.

What is the SMILES notation for sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium?

The canonical SMILES for sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium is Clc1ccnc(Cl)n1.Clc1nccc(-n2ccnc2-c2ccccc2)n1.O=[Re](=O)=O.OO.[CH3-].[H-].[Na+].[O-][n+]1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1.c1ccc(-c2ncc[nH]2)cc1.c1ccc(-c2nccn2-c2ccnc(Nc3cccnc3)n2)cc1.

What is the InChIKey of sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium?

The InChIKey is TXUWKEZRKAUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O.C18H14N6.C13H9ClN4.C9H8N2.C4H2Cl2N2.CH3.Na.H2O2.3O.Re.H/c25-23-11-4-7-15(13-23)21-18-20-9-8-16(22-18)24-12-10-19-17(24)14-5-2-1-3-6-14;1-2-5-14(6-3-1)17-20-11-12-24(17)16-8-10-21-18(23-16)22-15-7-4-9-19-13-15;14-13-16-7-6-11(17-13)18-9-8-15-12(18)10-4-2-1-3-5-10;1-2-4-8(5-3-1)9-10-6-7-11-9;5-3-1-2-7-4(6)8-3;;;1-2;;;;;/h1-13H,(H,20,21,22);1-13H,(H,21,22,23);1-9H;1-7H,(H,10,11);1-2H;1H3;;1-2H;;;;;/q;;;;;-1;+1;;;;;;-1.

What are the key properties of sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium?

sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium has a molecular weight of 1501.81 g/mol, XLogP of 10.24, 11 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;carbanide;2-chloro-4-(2-phenylimidazol-1-yl)pyrimidine;2,4-dichloropyrimidine;hydride;hydrogen peroxide;N-(1-oxidopyridin-1-ium-3-yl)-4-(2-phenylimidazol-1-yl)pyrimidin-2-amine;2-phenyl-1H-imidazole;4-(2-phenylimidazol-1-yl)-N-pyridin-3-ylpyrimidin-2-amine;trioxorhenium is sourced from PubChem (CID 159949224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).