dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate

C46H41Cl3F6K2N12O4 — CID 159435447

About dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate

dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate (PubChem CID 159435447) has the molecular formula C46H41Cl3F6K2N12O4 and a molecular weight of 1124.46 g/mol. Its IUPAC name is dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate
• PubChem CID: 159435447
• Molecular Formula: C46H41Cl3F6K2N12O4
• Molecular Weight: 1124.46 g/mol
• Exact Mass: 1122.16
• IUPAC Name: dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate
• SMILES: CCO.Cc1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)ncc2F)cc1.Cc1ccc(Nc2nc(Cl)ncc2F)cc1.Cc1nc2ccccn2c1C.Fc1cnc(Cl)nc1Cl.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C19H13F4N5.C11H9ClFN3.C9H10N2.C4HCl2FN2.C2H6O.CH2O3.2K.H/c1-11-5-7-12(8-6-11)25-17-13(20)10-24-18(27-17)15-16(19(21,22)23)26-14-4-2-3-9-28(14)15;1-7-2-4-8(5-3-7)15-10-9(13)6-14-11(12)16-10;1-7-8(2)11-6-4-3-5-9(11)10-7;5-3-2(7)1-8-4(6)9-3;1-2-3;2-1-4-3;;;/h2-10H,1H3,(H,24,25,27);2-6H,1H3,(H,14,15,16);3-6H,1-2H3;1H;3H,2H2,1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
• InChIKey: NXKVBKQSQOODJS-UHFFFAOYSA-M
• XLogP: 4.75
• TPSA: 205.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1124.46
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate?

The IUPAC name of dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate (CID 159435447) is dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate.

What is the SMILES notation for dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate?

The canonical SMILES for dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate is CCO.Cc1ccc(Nc2nc(-c3c(C(F)(F)F)nc4ccccn34)ncc2F)cc1.Cc1ccc(Nc2nc(Cl)ncc2F)cc1.Cc1nc2ccccn2c1C.Fc1cnc(Cl)nc1Cl.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate?

The InChIKey is NXKVBKQSQOODJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H13F4N5.C11H9ClFN3.C9H10N2.C4HCl2FN2.C2H6O.CH2O3.2K.H/c1-11-5-7-12(8-6-11)25-17-13(20)10-24-18(27-17)15-16(19(21,22)23)26-14-4-2-3-9-28(14)15;1-7-2-4-8(5-3-7)15-10-9(13)6-14-11(12)16-10;1-7-8(2)11-6-4-3-5-9(11)10-7;5-3-2(7)1-8-4(6)9-3;1-2-3;2-1-4-3;;;/h2-10H,1H3,(H,24,25,27);2-6H,1H3,(H,14,15,16);3-6H,1-2H3;1H;3H,2H2,1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate?

dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate has a molecular weight of 1124.46 g/mol, XLogP of 4.75, 6 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-chloro-5-fluoro-N-(4-methylphenyl)pyrimidin-4-amine;2,4-dichloro-5-fluoropyrimidine;2,3-dimethylimidazo[1,2-a]pyridine;ethanol;5-fluoro-N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;hydride;oxido formate is sourced from PubChem (CID 159435447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).