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

C93H73Cl5F5N21O5 — CID 162179065

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile (PubChem CID 162179065) has the molecular formula C93H73Cl5F5N21O5 and a molecular weight of 1837.00 g/mol. Its IUPAC name is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile
• PubChem CID: 162179065
• Molecular Formula: C93H73Cl5F5N21O5
• Molecular Weight: 1837.00 g/mol
• Exact Mass: 1833.45
• IUPAC Name: 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile
• SMILES: CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2cc(Cl)ccn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2cccc(F)n2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(C#N)cn2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1
• InChI: InChI=1S/C19H14ClF3N4O.C19H17ClN4O.C19H14FN5O.C18H14Cl2N4O.C18H14ClFN4O/c1-27(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;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-25(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;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)7-16)18(25)8-15-6-13(19)2-3-23-15;1-24(16-9-21-11-22-10-16)15-6-12(5-13(19)7-15)17(25)8-14-3-2-4-18(20)23-14/h2-6,8-11H,7H2,1H3;3,5-12H,4H2,1-2H3;2-6,9-12H,7H2,1H3;2*2-7,9-11H,8H2,1H3
• InChIKey: ZOTWRVNKOPITSB-UHFFFAOYSA-N
• XLogP: 20.07
• TPSA: 318.69 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.00
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile (CID 162179065) is 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile.

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

The canonical SMILES for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile is CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2cc(Cl)ccn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2ccc(C(F)(F)F)cn2)c1.CN(c1cncnc1)c1cc(Cl)cc(C(=O)Cc2cccc(F)n2)c1.CN(c1cncnc1)c1cc(F)cc(C(=O)Cc2ccc(C#N)cn2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(N(C)c3cncnc3)c2)c1.

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

The InChIKey is ZOTWRVNKOPITSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O.C19H17ClN4O.C19H14FN5O.C18H14Cl2N4O.C18H14ClFN4O/c1-27(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;1-13-3-14(9-21-8-13)4-19(25)15-5-16(20)7-17(6-15)24(2)18-10-22-12-23-11-18;1-25(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;1-24(17-9-21-11-22-10-17)16-5-12(4-14(20)7-16)18(25)8-15-6-13(19)2-3-23-15;1-24(16-9-21-11-22-10-16)15-6-12(5-13(19)7-15)17(25)8-14-3-2-4-18(20)23-14/h2-6,8-11H,7H2,1H3;3,5-12H,4H2,1-2H3;2-6,9-12H,7H2,1H3;2*2-7,9-11H,8H2,1H3.

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

1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile has a molecular weight of 1837.00 g/mol, XLogP of 20.07, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(4-chloro-2-pyridinyl)ethanone;1-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-(6-fluoro-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-[5-(trifluoromethyl)-2-pyridinyl]ethanone;6-[2-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-2-oxoethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 162179065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).