N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine

C141H158Cl3F2N31O14S9 — CID 161025901

About N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine

N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine (PubChem CID 161025901) has the molecular formula C141H158Cl3F2N31O14S9 and a molecular weight of 2943.98 g/mol. Its IUPAC name is N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine
• PubChem CID: 161025901
• Molecular Formula: C141H158Cl3F2N31O14S9
• Molecular Weight: 2943.98 g/mol
• Exact Mass: 2939.91
• IUPAC Name: N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine
• SMILES: Cc1cccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCc3ccnc(C(F)F)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3ccccc3S(C)(=O)=O)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1ncsc1CCNc1cc(-c2cccc(Cl)c2C)nc(N)n1.Cc1ncsc1CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
• InChI: InChI=1S/2C22H27N5O4S2.C22H26N4O4S2.C22H25N3O2S.C20H20F2N4.C17H18ClN5S.C16H15Cl2N5S/c1-15-6-4-7-19(16(15)2)20-14-21(27-22(23)26-20)24-12-5-13-25-33(30,31)18-10-8-17(9-11-18)32(3,28)29;1-15-8-6-9-17(16(15)2)18-14-21(27-22(23)26-18)24-12-7-13-25-33(30,31)20-11-5-4-10-19(20)32(3,28)29;1-15-6-4-7-19(16(15)2)20-14-21(26-22(23)25-20)24-12-5-13-32(29,30)18-10-8-17(9-11-18)31(3,27)28;1-15-6-4-9-20(16(15)2)21-14-18(24-22(23)25-21)8-5-7-17-10-12-19(13-11-17)28(3,26)27;1-12-4-3-5-16(13(12)2)17-11-15(25-20(23)26-17)7-6-14-8-9-24-18(10-14)19(21)22;1-10-12(4-3-5-13(10)18)14-8-16(23-17(19)22-14)20-7-6-15-11(2)21-9-24-15;1-9-13(24-8-21-9)5-6-20-14-7-12(22-16(19)23-14)10-3-2-4-11(17)15(10)18/h4,6-11,14,25H,5,12-13H2,1-3H3,(H3,23,24,26,27);4-6,8-11,14,25H,7,12-13H2,1-3H3,(H3,23,24,26,27);4,6-11,14H,5,12-13H2,1-3H3,(H3,23,24,25,26);4,6,9-14H,5,7-8H2,1-3H3,(H2,23,24,25);3-5,8-11,19H,6-7H2,1-2H3,(H2,23,25,26);3-5,8-9H,6-7H2,1-2H3,(H3,19,20,22,23);2-4,7-8H,5-6H2,1H3,(H3,19,20,22,23)
• InChIKey: TYYVKDAJJBSOSP-UHFFFAOYSA-N
• XLogP: 25.02
• TPSA: 724.46 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 45
• Rotatable Bonds: 47
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2943.98
LogP ≤ 5	25.02
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine?

The IUPAC name of N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine (CID 161025901) is N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine.

What is the SMILES notation for N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine?

The canonical SMILES for N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine is Cc1cccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCc3ccnc(C(F)F)c3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCNS(=O)(=O)c3ccccc3S(C)(=O)=O)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1ncsc1CCNc1cc(-c2cccc(Cl)c2C)nc(N)n1.Cc1ncsc1CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.

What is the InChIKey of N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine?

The InChIKey is TYYVKDAJJBSOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N5O4S2.C22H26N4O4S2.C22H25N3O2S.C20H20F2N4.C17H18ClN5S.C16H15Cl2N5S/c1-15-6-4-7-19(16(15)2)20-14-21(27-22(23)26-20)24-12-5-13-25-33(30,31)18-10-8-17(9-11-18)32(3,28)29;1-15-8-6-9-17(16(15)2)18-14-21(27-22(23)26-18)24-12-7-13-25-33(30,31)20-11-5-4-10-19(20)32(3,28)29;1-15-6-4-7-19(16(15)2)20-14-21(26-22(23)25-20)24-12-5-13-32(29,30)18-10-8-17(9-11-18)31(3,27)28;1-15-6-4-9-20(16(15)2)21-14-18(24-22(23)25-21)8-5-7-17-10-12-19(13-11-17)28(3,26)27;1-12-4-3-5-16(13(12)2)17-11-15(25-20(23)26-17)7-6-14-8-9-24-18(10-14)19(21)22;1-10-12(4-3-5-13(10)18)14-8-16(23-17(19)22-14)20-7-6-15-11(2)21-9-24-15;1-9-13(24-8-21-9)5-6-20-14-7-12(22-16(19)23-14)10-3-2-4-11(17)15(10)18/h4,6-11,14,25H,5,12-13H2,1-3H3,(H3,23,24,26,27);4-6,8-11,14,25H,7,12-13H2,1-3H3,(H3,23,24,26,27);4,6-11,14H,5,12-13H2,1-3H3,(H3,23,24,25,26);4,6,9-14H,5,7-8H2,1-3H3,(H2,23,24,25);3-5,8-11,19H,6-7H2,1-2H3,(H2,23,25,26);3-5,8-9H,6-7H2,1-2H3,(H3,19,20,22,23);2-4,7-8H,5-6H2,1H3,(H3,19,20,22,23).

What are the key properties of N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine?

N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine has a molecular weight of 2943.98 g/mol, XLogP of 25.02, 47 rotatable bonds, 14 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-2-methylsulfonylbenzenesulfonamide;N-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]-4-methylsulfonylbenzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;4-[2-[2-(difluoromethyl)-4-pyridinyl]ethyl]-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;6-(2,3-dimethylphenyl)-4-N-[3-(4-methylsulfonylphenyl)sulfonylpropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 161025901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).