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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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

C104H120Cl2N22O14S8 — CID 160915969

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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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 160915969) has the molecular formula C104H120Cl2N22O14S8 and a molecular weight of 2229.69 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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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: 160915969
• Molecular Formula: C104H120Cl2N22O14S8
• Molecular Weight: 2229.69 g/mol
• Exact Mass: 2226.65
• 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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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(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)c2Cl)nc(N)n1
• InChI: InChI=1S/2C22H27N5O4S2.C22H26N4O4S2.C22H25N3O2S.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;1-9-13(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);2-4,7-8H,5-6H2,1H3,(H3,19,20,22,23)
• InChIKey: SRKFFIYSXJXHBL-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 583.05 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2229.69
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	35

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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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 160915969) 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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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(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)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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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 SRKFFIYSXJXHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H27N5O4S2.C22H26N4O4S2.C22H25N3O2S.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;1-9-13(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);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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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 2229.69 g/mol, XLogP of 16.45, 37 rotatable bonds, 11 hydrogen bond donors, and 35 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-(2,3-dichlorophenyl)-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine;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 160915969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).