5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)

C106H87F16N37O — CID 172938703

About 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine) (PubChem CID 172938703) has the molecular formula C106H87F16N37O and a molecular weight of 2199.09 g/mol. Its IUPAC name is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine).

Molecular Properties

• Compound Name: 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)
• PubChem CID: 172938703
• Molecular Formula: C106H87F16N37O
• Molecular Weight: 2199.09 g/mol
• Exact Mass: 2197.76
• IUPAC Name: 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)
• SMILES: Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1
• InChI: InChI=1S/C27H28F4N10O.C27H21F4N9.2C26H19F4N9/c1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;2*1-16-14-39(15-34-16)22-8-18(26(28,29)30)7-21(9-22)36-20-5-4-19(32-11-20)12-35-38-25-33-13-23(27)24(37-25)17-3-2-6-31-10-17/h2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);2*2-15,36H,1H3,(H,33,37,38)/b36-14+;36-12+;2*35-12+
• InChIKey: HCJCRGGEXCUDLU-GVSQQTPXSA-N
• XLogP: 22.09
• TPSA: 434.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2199.09
LogP ≤ 5	22.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

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 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)?

The IUPAC name of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine) (CID 172938703) is 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine).

What is the SMILES notation for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)?

The canonical SMILES for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine) is Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(-c5cccnc5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cn(-c2cc(Nc3ccc(/C=N/Nc4ncc(F)c(NCCN5CCOCC5)n4)nc3)cc(C(F)(F)F)c2)cn1.Cc1cncc(-c2nc(N/N=C/c3ccc(Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cn3)ncc2F)c1.

What is the InChIKey of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)?

The InChIKey is HCJCRGGEXCUDLU-GVSQQTPXSA-N. The full InChI is InChI=1S/C27H28F4N10O.C27H21F4N9.2C26H19F4N9/c1-18-16-41(17-35-18)23-11-19(27(29,30)31)10-22(12-23)37-21-3-2-20(33-13-21)14-36-39-26-34-15-24(28)25(38-26)32-4-5-40-6-8-42-9-7-40;1-16-5-18(10-32-9-16)25-24(28)13-34-26(38-25)39-36-12-20-3-4-21(11-33-20)37-22-6-19(27(29,30)31)7-23(8-22)40-14-17(2)35-15-40;2*1-16-14-39(15-34-16)22-8-18(26(28,29)30)7-21(9-22)36-20-5-4-19(32-11-20)12-35-38-25-33-13-23(27)24(37-25)17-3-2-6-31-10-17/h2-3,10-17,37H,4-9H2,1H3,(H2,32,34,38,39);3-15,37H,1-2H3,(H,34,38,39);2*2-15,36H,1H3,(H,33,37,38)/b36-14+;36-12+;2*35-12+.

What are the key properties of 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine)?

5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine) has a molecular weight of 2199.09 g/mol, XLogP of 22.09, 31 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-(5-methyl-3-pyridinyl)pyrimidin-2-amine;5-fluoro-2-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine;bis(5-fluoro-N-[(E)-[5-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine) is sourced from PubChem (CID 172938703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).