4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol

C95H74F16N28O2 — CID 172971964

About 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol

4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol (PubChem CID 172971964) has the molecular formula C95H74F16N28O2 and a molecular weight of 1943.80 g/mol. Its IUPAC name is 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
• PubChem CID: 172971964
• Molecular Formula: C95H74F16N28O2
• Molecular Weight: 1943.80 g/mol
• Exact Mass: 1942.63
• IUPAC Name: 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol
• SMILES: CCc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)nc1
• InChI: InChI=1S/2C24H19F4N7O.C24H19F4N7.C23H17F4N7/c25-20-14-31-23(34-22(20)21-7-4-15(8-9-36)11-30-21)35-32-13-18-5-6-19(12-29-18)33-17-3-1-2-16(10-17)24(26,27)28;25-21-14-31-23(34-22(21)15-4-5-17(8-9-36)29-11-15)35-32-13-19-6-7-20(12-30-19)33-18-3-1-2-16(10-18)24(26,27)28;1-2-16-6-4-8-21(33-16)22-20(25)14-30-23(34-22)35-31-13-18-9-10-19(12-29-18)32-17-7-3-5-15(11-17)24(26,27)28;1-14-4-2-7-20(31-14)21-19(24)13-29-22(33-21)34-30-12-17-8-9-18(11-28-17)32-16-6-3-5-15(10-16)23(25,26)27/h2*1-7,10-14,33,36H,8-9H2,(H,31,34,35);3-14,32H,2H2,1H3,(H,30,34,35);2-13,32H,1H3,(H,29,33,34)/b2*32-13+;31-13+;30-12+
• InChIKey: IMNKSHGFYHOUFQ-AVKKHOCMSA-N
• XLogP: 21.06
• TPSA: 392.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 29
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.80
LogP ≤ 5	21.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?

The IUPAC name of 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol (CID 172971964) is 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol.

What is the SMILES notation for 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?

The canonical SMILES for 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol is CCc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.Cc1cccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)n1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)cn1.OCCc1ccc(-c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)nc1.

What is the InChIKey of 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?

The InChIKey is IMNKSHGFYHOUFQ-AVKKHOCMSA-N. The full InChI is InChI=1S/2C24H19F4N7O.C24H19F4N7.C23H17F4N7/c25-20-14-31-23(34-22(20)21-7-4-15(8-9-36)11-30-21)35-32-13-18-5-6-19(12-29-18)33-17-3-1-2-16(10-17)24(26,27)28;25-21-14-31-23(34-22(21)15-4-5-17(8-9-36)29-11-15)35-32-13-19-6-7-20(12-30-19)33-18-3-1-2-16(10-18)24(26,27)28;1-2-16-6-4-8-21(33-16)22-20(25)14-30-23(34-22)35-31-13-18-9-10-19(12-29-18)32-17-7-3-5-15(11-17)24(26,27)28;1-14-4-2-7-20(31-14)21-19(24)13-29-22(33-21)34-30-12-17-8-9-18(11-28-17)32-16-6-3-5-15(10-16)23(25,26)27/h2*1-7,10-14,33,36H,8-9H2,(H,31,34,35);3-14,32H,2H2,1H3,(H,30,34,35);2-13,32H,1H3,(H,29,33,34)/b2*32-13+;31-13+;30-12+.

What are the key properties of 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol?

4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol has a molecular weight of 1943.80 g/mol, XLogP of 21.06, 29 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-ethyl-2-pyridinyl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(6-methyl-2-pyridinyl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;2-[5-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-2-pyridinyl]ethanol;2-[6-[5-fluoro-2-[(2E)-2-[[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylidene]hydrazinyl]pyrimidin-4-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 172971964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).