2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C24H20ClFN6O — CID 122317294

About 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122317294) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
• PubChem CID: 122317294
• Molecular Formula: C24H20ClFN6O
• Molecular Weight: 462.92 g/mol
• Exact Mass: 462.14
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
• SMILES: Cc1nc(Nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)cc(Nc2ccccn2)n1
• InChI: InChI=1S/C24H20ClFN6O/c1-15-28-22(14-23(29-15)32-21-7-2-3-12-27-21)30-16-8-10-17(11-9-16)31-24(33)13-18-19(25)5-4-6-20(18)26/h2-12,14H,13H2,1H3,(H,31,33)(H2,27,28,29,30,32)
• InChIKey: OGKVSUNNICLHSC-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 91.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.92
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 122317294) is 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is Cc1nc(Nc2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)cc(Nc2ccccn2)n1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?

The InChIKey is OGKVSUNNICLHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c1-15-28-22(14-23(29-15)32-21-7-2-3-12-27-21)30-16-8-10-17(11-9-16)31-24(33)13-18-19(25)5-4-6-20(18)26/h2-12,14H,13H2,1H3,(H,31,33)(H2,27,28,29,30,32).

What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?

2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 462.92 g/mol, XLogP of 5.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122317294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).