2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide

C75H66ClF3N24O8S2 — CID 160600291

About 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide

2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 160600291) has the molecular formula C75H66ClF3N24O8S2 and a molecular weight of 1588.09 g/mol. Its IUPAC name is 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
• PubChem CID: 160600291
• Molecular Formula: C75H66ClF3N24O8S2
• Molecular Weight: 1588.09 g/mol
• Exact Mass: 1586.46
• IUPAC Name: 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
• SMILES: CCS(=O)(=O)c1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)cc1.Cc1nc(NC(=O)c2ccc(CN(C)C)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(CNc3ncccn3)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc(-c2ccccn2)n1
• InChI: InChI=1S/C21H18N8O.C19H19ClN6O.C18H17N5O3S.C17H12F3N5O3S/c1-14-26-18(17-5-2-3-10-22-17)28-21(27-14)29-19(30)16-8-6-15(7-9-16)13-25-20-23-11-4-12-24-20;1-12-22-17(16-6-4-5-9-21-16)24-19(23-12)25-18(27)14-8-7-13(10-15(14)20)11-26(2)3;1-3-27(25,26)14-9-7-13(8-10-14)17(24)23-18-21-12(2)20-16(22-18)15-6-4-5-11-19-15;1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)29(27,28)17(18,19)20/h2-12H,13H2,1H3,(H,23,24,25)(H,26,27,28,29,30);4-10H,11H2,1-3H3,(H,22,23,24,25,27);4-11H,3H2,1-2H3,(H,20,21,22,23,24);2-9H,1H3,(H,22,23,24,25,26)
• InChIKey: REEHZIZMJPGRQR-UHFFFAOYSA-N
• XLogP: 11.18
• TPSA: 431.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.09
LogP ≤ 5	11.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?

The IUPAC name of 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide (CID 160600291) is 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide.

What is the SMILES notation for 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?

The canonical SMILES for 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nc(C)nc(-c3ccccn3)n2)cc1.Cc1nc(NC(=O)c2ccc(CN(C)C)cc2Cl)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(CNc3ncccn3)cc2)nc(-c2ccccn2)n1.Cc1nc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc(-c2ccccn2)n1.

What is the InChIKey of 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?

The InChIKey is REEHZIZMJPGRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O.C19H19ClN6O.C18H17N5O3S.C17H12F3N5O3S/c1-14-26-18(17-5-2-3-10-22-17)28-21(27-14)29-19(30)16-8-6-15(7-9-16)13-25-20-23-11-4-12-24-20;1-12-22-17(16-6-4-5-9-21-16)24-19(23-12)25-18(27)14-8-7-13(10-15(14)20)11-26(2)3;1-3-27(25,26)14-9-7-13(8-10-14)17(24)23-18-21-12(2)20-16(22-18)15-6-4-5-11-19-15;1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)29(27,28)17(18,19)20/h2-12H,13H2,1H3,(H,23,24,25)(H,26,27,28,29,30);4-10H,11H2,1-3H3,(H,22,23,24,25,27);4-11H,3H2,1-2H3,(H,20,21,22,23,24);2-9H,1H3,(H,22,23,24,25,26).

What are the key properties of 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?

2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 1588.09 g/mol, XLogP of 11.18, 20 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[(dimethylamino)methyl]-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;4-ethylsulfonyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide;N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 160600291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).