4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine

C97H102Cl6N26O4S3 — CID 158431911

About 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 158431911) has the molecular formula C97H102Cl6N26O4S3 and a molecular weight of 2004.98 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
• PubChem CID: 158431911
• Molecular Formula: C97H102Cl6N26O4S3
• Molecular Weight: 2004.98 g/mol
• Exact Mass: 2000.59
• IUPAC Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine
• SMILES: CN(C)S(=O)(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CCc3cnc(-c4ccccc4)s3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1
• InChI: InChI=1S/C23H22N4S.C21H24ClN5O2S.C20H21Cl2N5O2S.C17H19ClN6.C16H16Cl2N6/c1-15-7-6-10-20(16(15)2)21-13-18(26-23(24)27-21)11-12-19-14-25-22(28-19)17-8-4-3-5-9-17;1-14-17(5-4-6-18(14)22)19-13-20(26-21(23)25-19)24-12-11-15-7-9-16(10-8-15)30(28,29)27(2)3;1-27(2)30(28,29)14-8-6-13(7-9-14)10-11-24-18-12-17(25-20(23)26-18)15-4-3-5-16(21)19(15)22;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-10,13-14H,11-12H2,1-2H3,(H2,24,26,27);4-10,13H,11-12H2,1-3H3,(H3,23,24,25,26);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24)
• InChIKey: HBTLISQVBNJKCN-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 453.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.98
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

The IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine (CID 158431911) is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

The canonical SMILES for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine is CN(C)S(=O)(=O)c1ccc(CCNc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)N(C)C)cc2)nc(N)n1.Cc1cccc(-c2cc(CCc3cnc(-c4ccccc4)s3)nc(N)n2)c1C.Cc1nc(CCCc2cc(-c3cccc(Cl)c3C)nc(N)n2)n[nH]1.Cc1nc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)n[nH]1.

What is the InChIKey of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

The InChIKey is HBTLISQVBNJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S.C21H24ClN5O2S.C20H21Cl2N5O2S.C17H19ClN6.C16H16Cl2N6/c1-15-7-6-10-20(16(15)2)21-13-18(26-23(24)27-21)11-12-19-14-25-22(28-19)17-8-4-3-5-9-17;1-14-17(5-4-6-18(14)22)19-13-20(26-21(23)25-19)24-12-11-15-7-9-16(10-8-15)30(28,29)27(2)3;1-27(2)30(28,29)14-8-6-13(7-9-14)10-11-24-18-12-17(25-20(23)26-18)15-4-3-5-16(21)19(15)22;1-10-13(6-4-7-14(10)18)15-9-12(21-17(19)22-15)5-3-8-16-20-11(2)23-24-16;1-9-20-14(24-23-9)7-2-4-10-8-13(22-16(19)21-10)11-5-3-6-12(17)15(11)18/h3-10,13-14H,11-12H2,1-2H3,(H2,24,26,27);4-10,13H,11-12H2,1-3H3,(H3,23,24,25,26);3-9,12H,10-11H2,1-2H3,(H3,23,24,25,26);4,6-7,9H,3,5,8H2,1-2H3,(H2,19,21,22)(H,20,23,24);3,5-6,8H,2,4,7H2,1H3,(H2,19,21,22)(H,20,23,24).

What are the key properties of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine?

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 2004.98 g/mol, XLogP of 19.71, 29 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-[2-[[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide;4-(3-chloro-2-methylphenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[2-(2-phenyl-1,3-thiazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 158431911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).