1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C74H60Cl2F5N17O4S — CID 158311571

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 158311571) has the molecular formula C74H60Cl2F5N17O4S and a molecular weight of 1449.37 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 158311571
• Molecular Formula: C74H60Cl2F5N17O4S
• Molecular Weight: 1449.37 g/mol
• Exact Mass: 1447.40
• IUPAC Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(C#N)cn2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1
• InChI: InChI=1S/C19H17ClN4O.C19H14F4N4O.C19H14FN5O.C17H15ClN4OS/c1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;1-25(18-10-22-12-23-11-18)17-5-14(4-15(20)6-17)19(26)7-16-3-2-13(8-21)9-24-16;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15/h3,5-12H,4H2,1-2H3;2-6,8-11H,7H2,1H3;2-6,9-12H,7H2,1H3;3-5,7-10H,6H2,1-2H3
• InChIKey: GNSVWEDEBVDJDM-UHFFFAOYSA-N
• XLogP: 15.41
• TPSA: 259.71 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1449.37
LogP ≤ 5	15.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 158311571) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

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

The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(C#N)cn2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.Cc1csc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)n1.

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

The InChIKey is GNSVWEDEBVDJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O.C19H14F4N4O.C19H14FN5O.C17H15ClN4OS/c1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-27(17-9-24-11-25-10-17)16-5-12(4-14(20)6-16)18(28)7-15-3-2-13(8-26-15)19(21,22)23;1-25(18-10-22-12-23-11-18)17-5-14(4-15(20)6-17)19(26)7-16-3-2-13(8-21)9-24-16;1-11-9-24-17(21-11)6-16(23)12-3-13(18)5-14(4-12)22(2)15-7-19-10-20-8-15/h3,5-12H,4H2,1-2H3;2-6,8-11H,7H2,1H3;2-6,9-12H,7H2,1H3;3-5,7-10H,6H2,1-2H3.

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1449.37 g/mol, XLogP of 15.41, 20 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(5-methyl-3-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile;1-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 158311571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).