potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide

C90H101BrCl5F6KN21NaO16 — CID 159372388

About potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide

potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide (PubChem CID 159372388) has the molecular formula C90H101BrCl5F6KN21NaO16 and a molecular weight of 2166.17 g/mol. Its IUPAC name is potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide.

Molecular Properties

• Compound Name: potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide
• PubChem CID: 159372388
• Molecular Formula: C90H101BrCl5F6KN21NaO16
• Molecular Weight: 2166.17 g/mol
• Exact Mass: 2161.48
• IUPAC Name: potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide
• SMILES: C.CCC(=O)C(Br)C(=O)OC.CCC(=O)CC(=O)OC.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N(C)C2CN(c3ccc(OC(F)(F)F)cc3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.CCc1nc2ncc(Cl)cn2c1C(=O)O.CCc1nc2ncc(Cl)cn2c1C(=O)OC.CN(c1ccc(CN)cc1)C1CN(c2ccc(OC(F)(F)F)cc2)C1.Nc1ncc(Cl)cn1.[H-].[K+].[Na+].[OH-]
• InChI: InChI=1S/C27H26ClF3N6O2.C18H20F3N3O.C10H10ClN3O2.2C9H8ClN3O2.C6H9BrO3.C6H10O3.C4H4ClN3.CH4.K.Na.H2O.H/c1-3-23-24(37-14-18(28)13-33-26(37)34-23)25(38)32-12-17-4-6-19(7-5-17)35(2)21-15-36(16-21)20-8-10-22(11-9-20)39-27(29,30)31;1-23(14-4-2-13(10-22)3-5-14)16-11-24(12-16)15-6-8-17(9-7-15)25-18(19,20)21;1-3-7-8(9(15)16-2)14-5-6(11)4-12-10(14)13-7;2*1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;1-3-4(8)5(7)6(9)10-2;1-3-5(7)4-6(8)9-2;5-3-1-7-4(6)8-2-3;;;;;/h4-11,13-14,21H,3,12,15-16H2,1-2H3,(H,32,38);2-9,16H,10-12,22H2,1H3;4-5H,3H2,1-2H3;2*3-4H,2H2,1H3,(H,14,15);5H,3H2,1-2H3;3-4H2,1-2H3;1-2H,(H2,6,7,8);1H4;;;1H2;/q;;;;;;;;;2*+1;;-1/p-1
• InChIKey: GOHALDGBOUWEEF-UHFFFAOYSA-M
• XLogP: 10.21
• TPSA: 476.74 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.17
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide?

The IUPAC name of potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide (CID 159372388) is potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide.

What is the SMILES notation for potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide?

The canonical SMILES for potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide is C.CCC(=O)C(Br)C(=O)OC.CCC(=O)CC(=O)OC.CCc1nc2ncc(Cl)cn2c1C(=O)NCc1ccc(N(C)C2CN(c3ccc(OC(F)(F)F)cc3)C2)cc1.CCc1nc2ncc(Cl)cn2c1C(=O)O.CCc1nc2ncc(Cl)cn2c1C(=O)O.CCc1nc2ncc(Cl)cn2c1C(=O)OC.CN(c1ccc(CN)cc1)C1CN(c2ccc(OC(F)(F)F)cc2)C1.Nc1ncc(Cl)cn1.[H-].[K+].[Na+].[OH-].

What is the InChIKey of potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide?

The InChIKey is GOHALDGBOUWEEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26ClF3N6O2.C18H20F3N3O.C10H10ClN3O2.2C9H8ClN3O2.C6H9BrO3.C6H10O3.C4H4ClN3.CH4.K.Na.H2O.H/c1-3-23-24(37-14-18(28)13-33-26(37)34-23)25(38)32-12-17-4-6-19(7-5-17)35(2)21-15-36(16-21)20-8-10-22(11-9-20)39-27(29,30)31;1-23(14-4-2-13(10-22)3-5-14)16-11-24(12-16)15-6-8-17(9-7-15)25-18(19,20)21;1-3-7-8(9(15)16-2)14-5-6(11)4-12-10(14)13-7;2*1-2-6-7(8(14)15)13-4-5(10)3-11-9(13)12-6;1-3-4(8)5(7)6(9)10-2;1-3-5(7)4-6(8)9-2;5-3-1-7-4(6)8-2-3;;;;;/h4-11,13-14,21H,3,12,15-16H2,1-2H3,(H,32,38);2-9,16H,10-12,22H2,1H3;4-5H,3H2,1-2H3;2*3-4H,2H2,1H3,(H,14,15);5H,3H2,1-2H3;3-4H2,1-2H3;1-2H,(H2,6,7,8);1H4;;;1H2;/q;;;;;;;;;2*+1;;-1/p-1.

What are the key properties of potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide?

potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide has a molecular weight of 2166.17 g/mol, XLogP of 10.21, 25 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;sodium;N-[4-(aminomethyl)phenyl]-N-methyl-1-[4-(trifluoromethoxy)phenyl]azetidin-3-amine;bis(6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid);6-chloro-2-ethyl-N-[[4-[methyl-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]amino]phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide;5-chloropyrimidin-2-amine;hydride;methane;methyl 2-bromo-3-oxopentanoate;methyl 6-chloro-2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;methyl 3-oxopentanoate;hydroxide is sourced from PubChem (CID 159372388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).