carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine

C45H53Cl5FN16O4Pd- — CID 157226992

About carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine

carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine (PubChem CID 157226992) has the molecular formula C45H53Cl5FN16O4Pd- and a molecular weight of 1184.71 g/mol. Its IUPAC name is carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine.

Molecular Properties

• Compound Name: carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine
• PubChem CID: 157226992
• Molecular Formula: C45H53Cl5FN16O4Pd-
• Molecular Weight: 1184.71 g/mol
• Exact Mass: 1181.19
• IUPAC Name: carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine
• SMILES: C1CCNC1.Clc1ncc(Cl)c(Cl)n1.Clc1ncc(Cl)c(Nc2cccnc2N2CCCC2)n1.Nc1cccnc1N1CCCC1.O=[N+]([O-])c1cccnc1F.O=[N+]([O-])c1cccnc1N1CCCC1.[CH3-].[Pd]
• InChI: InChI=1S/C13H13Cl2N5.C9H11N3O2.C9H13N3.C5H3FN2O2.C4HCl3N2.C4H9N.CH3.Pd/c14-9-8-17-13(15)19-11(9)18-10-4-3-5-16-12(10)20-6-1-2-7-20;13-12(14)8-4-3-5-10-9(8)11-6-1-2-7-11;10-8-4-3-5-11-9(8)12-6-1-2-7-12;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;1-2-4-5-3-1;;/h3-5,8H,1-2,6-7H2,(H,17,18,19);3-5H,1-2,6-7H2;3-5H,1-2,6-7,10H2;1-3H;1H;5H,1-4H2;1H3;/q;;;;;;-1
• InChIKey: FTXZBBHDEGERRC-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 249.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.71
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine?

The IUPAC name of carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine (CID 157226992) is carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine.

What is the SMILES notation for carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine?

The canonical SMILES for carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine is C1CCNC1.Clc1ncc(Cl)c(Cl)n1.Clc1ncc(Cl)c(Nc2cccnc2N2CCCC2)n1.Nc1cccnc1N1CCCC1.O=[N+]([O-])c1cccnc1F.O=[N+]([O-])c1cccnc1N1CCCC1.[CH3-].[Pd].

What is the InChIKey of carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine?

The InChIKey is FTXZBBHDEGERRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N5.C9H11N3O2.C9H13N3.C5H3FN2O2.C4HCl3N2.C4H9N.CH3.Pd/c14-9-8-17-13(15)19-11(9)18-10-4-3-5-16-12(10)20-6-1-2-7-20;13-12(14)8-4-3-5-10-9(8)11-6-1-2-7-11;10-8-4-3-5-11-9(8)12-6-1-2-7-12;6-5-4(8(9)10)2-1-3-7-5;5-2-1-8-4(7)9-3(2)6;1-2-4-5-3-1;;/h3-5,8H,1-2,6-7H2,(H,17,18,19);3-5H,1-2,6-7H2;3-5H,1-2,6-7,10H2;1-3H;1H;5H,1-4H2;1H3;/q;;;;;;-1;.

What are the key properties of carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine?

carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine has a molecular weight of 1184.71 g/mol, XLogP of 10.76, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,5-dichloro-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-amine;2-fluoro-3-nitropyridine;3-nitro-2-pyrrolidin-1-ylpyridine;palladium;pyrrolidine;2-pyrrolidin-1-ylpyridin-3-amine;2,4,5-trichloropyrimidine is sourced from PubChem (CID 157226992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).