2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone

C95H81F9N18O5S — CID 160853268

About 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone

2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone (PubChem CID 160853268) has the molecular formula C95H81F9N18O5S and a molecular weight of 1757.86 g/mol. Its IUPAC name is 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone
• PubChem CID: 160853268
• Molecular Formula: C95H81F9N18O5S
• Molecular Weight: 1757.86 g/mol
• Exact Mass: 1756.62
• IUPAC Name: 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone
• SMILES: CN(c1cncnc1)c1cc(CC(=O)c2cscn2)cc(F)c1F.Cc1cccc(C(=O)Cc2cc(F)c(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Cc2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Cc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Cc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1
• InChI: InChI=1S/C22H19F3N2O.C19H16F2N4O.2C19H17FN4O.C16H12F2N4OS/c1-15-5-3-7-17(9-15)21(28)11-16-6-4-8-19(10-16)27(2)20-12-18(13-26-14-20)22(23,24)25;1-12-4-3-5-16(24-12)18(26)8-13-6-15(20)19(21)17(7-13)25(2)14-9-22-11-23-10-14;1-13-4-3-5-18(23-13)19(25)8-14-6-15(20)9-16(7-14)24(2)17-10-21-12-22-11-17;1-13-4-3-5-17(23-13)19(25)9-14-6-7-16(20)18(8-14)24(2)15-10-21-12-22-11-15;1-22(11-5-19-8-20-6-11)14-3-10(2-12(17)16(14)18)4-15(23)13-7-24-9-21-13/h3-10,12-14H,11H2,1-2H3;3-7,9-11H,8H2,1-2H3;3-7,9-12H,8H2,1-2H3;3-8,10-12H,9H2,1-2H3;2-3,5-9H,4H2,1H3
• InChIKey: SJNRVESLDLDWTN-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 269.12 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1757.86
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone?

The IUPAC name of 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone (CID 160853268) is 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone.

What is the SMILES notation for 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone?

The canonical SMILES for 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone is CN(c1cncnc1)c1cc(CC(=O)c2cscn2)cc(F)c1F.Cc1cccc(C(=O)Cc2cc(F)c(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Cc2cc(F)cc(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Cc2ccc(F)c(N(C)c3cncnc3)c2)n1.Cc1cccc(C(=O)Cc2cccc(N(C)c3cncc(C(F)(F)F)c3)c2)c1.

What is the InChIKey of 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone?

The InChIKey is SJNRVESLDLDWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O.C19H16F2N4O.2C19H17FN4O.C16H12F2N4OS/c1-15-5-3-7-17(9-15)21(28)11-16-6-4-8-19(10-16)27(2)20-12-18(13-26-14-20)22(23,24)25;1-12-4-3-5-16(24-12)18(26)8-13-6-15(20)19(21)17(7-13)25(2)14-9-22-11-23-10-14;1-13-4-3-5-18(23-13)19(25)8-14-6-15(20)9-16(7-14)24(2)17-10-21-12-22-11-17;1-13-4-3-5-17(23-13)19(25)9-14-6-7-16(20)18(8-14)24(2)15-10-21-12-22-11-15;1-22(11-5-19-8-20-6-11)14-3-10(2-12(17)16(14)18)4-15(23)13-7-24-9-21-13/h3-10,12-14H,11H2,1-2H3;3-7,9-11H,8H2,1-2H3;3-7,9-12H,8H2,1-2H3;3-8,10-12H,9H2,1-2H3;2-3,5-9H,4H2,1H3.

What are the key properties of 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone?

2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone has a molecular weight of 1757.86 g/mol, XLogP of 19.68, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[3,4-difluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(1,3-thiazol-4-yl)ethanone;2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;2-[4-fluoro-3-[methyl(pyrimidin-5-yl)amino]phenyl]-1-(6-methyl-2-pyridinyl)ethanone;1-(3-methylphenyl)-2-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]ethanone is sourced from PubChem (CID 160853268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).