lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine

C96H118Cl11F12LiN21NaO15S4 — CID 158966946

About lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine

lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine (PubChem CID 158966946) has the molecular formula C96H118Cl11F12LiN21NaO15S4 and a molecular weight of 2582.29 g/mol. Its IUPAC name is lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine.

Molecular Properties

• Compound Name: lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine
• PubChem CID: 158966946
• Molecular Formula: C96H118Cl11F12LiN21NaO15S4
• Molecular Weight: 2582.29 g/mol
• Exact Mass: 2575.44
• IUPAC Name: lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine
• SMILES: CC(C)(C)[O-].CC(C)(C)[O-].CCN(C(C)C)C(C)C.CCOCCl.CCOCN(c1ccncn1)S(=O)(=O)c1cc(F)c(Cl)nc1Cl.CCOCN(c1ccncn1)S(=O)(=O)c1cc(F)c(O[C@H]2CC[C@H](c3cc(C(F)(F)F)ccc3F)CC2N(C)C)nc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O.Nc1cc(F)c(Cl)nc1Cl.Nc1ccncn1.O=S(=O)(Cl)c1cc(F)c(Cl)nc1Cl.O=S(=O)(Nc1ccncn1)c1cc(F)c(Cl)nc1Cl.[Li+].[Na+]
• InChI: InChI=1S/C27H29ClF5N5O4S.C15H20F3NO.C12H11Cl2FN4O3S.C9H5Cl2FN4O2S.C8H19N.C5HCl3FNO2S.C5H3Cl2FN2.C4H5N3.2C4H9O.C3H7ClO.Li.Na/c1-4-41-15-38(24-9-10-34-14-35-24)43(39,40)23-13-20(30)26(36-25(23)28)42-22-8-5-16(11-21(22)37(2)3)18-12-17(27(31,32)33)6-7-19(18)29;1-19(2)13-9-11(6-7-14(13)20)10-4-3-5-12(8-10)15(16,17)18;1-2-22-7-19(10-3-4-16-6-17-10)23(20,21)9-5-8(15)11(13)18-12(9)14;10-8-5(12)3-6(9(11)15-8)19(17,18)16-7-1-2-13-4-14-7;1-6-9(7(2)3)8(4)5;6-4-2(9)1-3(5(7)10-4)13(8,11)12;6-4-2(8)1-3(9)5(7)10-4;5-4-1-2-6-3-7-4;2*1-4(2,3)5;1-2-5-3-4;;/h6-7,9-10,12-14,16,21-22H,4-5,8,11,15H2,1-3H3;3-5,8,11,13-14,20H,6-7,9H2,1-2H3;3-6H,2,7H2,1H3;1-4H,(H,13,14,16);7-8H,6H2,1-5H3;1H;1H,9H2;1-3H,(H2,5,6,7);2*1-3H3;2-3H2,1H3;;/q;;;;;;;;2*-1;;2*+1/t16-,21?,22-;11-,13-,14-;;;;;;;;;;;/m00.........../s1
• InChIKey: JNIBOEKDYOPLOS-OFFVVDMISA-N
• XLogP: 15.81
• TPSA: 487.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2582.29
LogP ≤ 5	15.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine?

The IUPAC name of lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine (CID 158966946) is lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine.

What is the SMILES notation for lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine?

The canonical SMILES for lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine is CC(C)(C)[O-].CC(C)(C)[O-].CCN(C(C)C)C(C)C.CCOCCl.CCOCN(c1ccncn1)S(=O)(=O)c1cc(F)c(Cl)nc1Cl.CCOCN(c1ccncn1)S(=O)(=O)c1cc(F)c(O[C@H]2CC[C@H](c3cc(C(F)(F)F)ccc3F)CC2N(C)C)nc1Cl.CN(C)[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)CC[C@@H]1O.Nc1cc(F)c(Cl)nc1Cl.Nc1ccncn1.O=S(=O)(Cl)c1cc(F)c(Cl)nc1Cl.O=S(=O)(Nc1ccncn1)c1cc(F)c(Cl)nc1Cl.[Li+].[Na+].

What is the InChIKey of lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine?

The InChIKey is JNIBOEKDYOPLOS-OFFVVDMISA-N. The full InChI is InChI=1S/C27H29ClF5N5O4S.C15H20F3NO.C12H11Cl2FN4O3S.C9H5Cl2FN4O2S.C8H19N.C5HCl3FNO2S.C5H3Cl2FN2.C4H5N3.2C4H9O.C3H7ClO.Li.Na/c1-4-41-15-38(24-9-10-34-14-35-24)43(39,40)23-13-20(30)26(36-25(23)28)42-22-8-5-16(11-21(22)37(2)3)18-12-17(27(31,32)33)6-7-19(18)29;1-19(2)13-9-11(6-7-14(13)20)10-4-3-5-12(8-10)15(16,17)18;1-2-22-7-19(10-3-4-16-6-17-10)23(20,21)9-5-8(15)11(13)18-12(9)14;10-8-5(12)3-6(9(11)15-8)19(17,18)16-7-1-2-13-4-14-7;1-6-9(7(2)3)8(4)5;6-4-2(9)1-3(5(7)10-4)13(8,11)12;6-4-2(8)1-3(9)5(7)10-4;5-4-1-2-6-3-7-4;2*1-4(2,3)5;1-2-5-3-4;;/h6-7,9-10,12-14,16,21-22H,4-5,8,11,15H2,1-3H3;3-5,8,11,13-14,20H,6-7,9H2,1-2H3;3-6H,2,7H2,1H3;1-4H,(H,13,14,16);7-8H,6H2,1-5H3;1H;1H,9H2;1-3H,(H2,5,6,7);2*1-3H3;2-3H2,1H3;;/q;;;;;;;;2*-1;;2*+1/t16-,21?,22-;11-,13-,14-;;;;;;;;;;;/m00.........../s1.

What are the key properties of lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine?

lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine has a molecular weight of 2582.29 g/mol, XLogP of 15.81, 27 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;sodium;2-chloro-6-[(1S,2S,4S)-2-(dimethylamino)-4-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexyl]oxy-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;chloromethoxyethane;2,6-dichloro-N-(ethoxymethyl)-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;2,6-dichloro-5-fluoropyridin-3-amine;2,6-dichloro-5-fluoropyridine-3-sulfonyl chloride;2,6-dichloro-5-fluoro-N-pyrimidin-4-ylpyridine-3-sulfonamide;(1S,2S,4S)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;N-ethyl-N-propan-2-ylpropan-2-amine;bis(2-methylpropan-2-olate);pyrimidin-4-amine is sourced from PubChem (CID 158966946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).