4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine

C142H160Cl3FN36O10S5 — CID 158253219

About 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine

4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine (PubChem CID 158253219) has the molecular formula C142H160Cl3FN36O10S5 and a molecular weight of 2816.78 g/mol. Its IUPAC name is 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine
• PubChem CID: 158253219
• Molecular Formula: C142H160Cl3FN36O10S5
• Molecular Weight: 2816.78 g/mol
• Exact Mass: 2813.08
• IUPAC Name: 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine
• SMILES: CS(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(CCCc3c(C)n[nH]c3C)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCCS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cc(C#N)ccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)nn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(S(N)(=O)=O)cn3)nc(N)n2)c1C
• InChI: InChI=1S/C22H27N5O4S2.C21H22N6.C20H19Cl2N3O2S.C20H22FN5O2S.C20H24N6O2S.C20H25N5.C19H21ClN6/c1-15-6-5-7-19(16(15)2)20-14-21(27-22(23)26-20)25-12-3-4-13-32(28,29)17-8-10-18(11-9-17)33(24,30)31;1-14-5-3-7-18(15(14)2)19-12-20(27-21(23)26-19)25-9-4-6-17-11-16(13-22)8-10-24-17;1-28(26,27)15-10-8-13(9-11-15)4-2-5-14-12-18(25-20(23)24-14)16-6-3-7-17(21)19(16)22;1-12-10-17(21)13(2)9-16(12)18-11-19(26-20(22)25-18)24-8-7-14-3-5-15(6-4-14)29(23,27)28;1-13-5-3-7-17(14(13)2)18-11-19(26-20(21)25-18)23-10-4-6-15-8-9-16(12-24-15)29(22,27)28;1-12-7-5-9-17(13(12)2)19-11-16(22-20(21)23-19)8-6-10-18-14(3)24-25-15(18)4;1-12-5-3-7-15(13(12)2)16-11-18(24-19(21)23-16)22-10-4-6-14-8-9-17(20)26-25-14/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,30,31)(H3,23,25,26,27);3,5,7-8,10-12H,4,6,9H2,1-2H3,(H3,23,25,26,27);3,6-12H,2,4-5H2,1H3,(H2,23,24,25);3-6,9-11H,7-8H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H2,22,27,28)(H3,21,23,25,26);5,7,9,11H,6,8,10H2,1-4H3,(H,24,25)(H2,21,22,23);3,5,7-9,11H,4,6,10H2,1-2H3,(H3,21,22,23,24)
• InChIKey: GGYUMKKOHJOHKT-UHFFFAOYSA-N
• XLogP: 23.82
• TPSA: 775.54 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 42
• Rotatable Bonds: 45
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2816.78
LogP ≤ 5	23.82
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

The IUPAC name of 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine (CID 158253219) is 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

The canonical SMILES for 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine is CS(=O)(=O)c1ccc(CCCc2cc(-c3cccc(Cl)c3Cl)nc(N)n2)cc1.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(CCCc3c(C)n[nH]c3C)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCCS(=O)(=O)c3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3cc(C#N)ccn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(Cl)nn3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCc3ccc(S(N)(=O)=O)cn3)nc(N)n2)c1C.

What is the InChIKey of 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

The InChIKey is GGYUMKKOHJOHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S2.C21H22N6.C20H19Cl2N3O2S.C20H22FN5O2S.C20H24N6O2S.C20H25N5.C19H21ClN6/c1-15-6-5-7-19(16(15)2)20-14-21(27-22(23)26-20)25-12-3-4-13-32(28,29)17-8-10-18(11-9-17)33(24,30)31;1-14-5-3-7-18(15(14)2)19-12-20(27-21(23)26-19)25-9-4-6-17-11-16(13-22)8-10-24-17;1-28(26,27)15-10-8-13(9-11-15)4-2-5-14-12-18(25-20(23)24-14)16-6-3-7-17(21)19(16)22;1-12-10-17(21)13(2)9-16(12)18-11-19(26-20(22)25-18)24-8-7-14-3-5-15(6-4-14)29(23,27)28;1-13-5-3-7-17(14(13)2)18-11-19(26-20(21)25-18)23-10-4-6-15-8-9-16(12-24-15)29(22,27)28;1-12-7-5-9-17(13(12)2)19-11-16(22-20(21)23-19)8-6-10-18-14(3)24-25-15(18)4;1-12-5-3-7-15(13(12)2)16-11-18(24-19(21)23-16)22-10-4-6-14-8-9-17(20)26-25-14/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,30,31)(H3,23,25,26,27);3,5,7-8,10-12H,4,6,9H2,1-2H3,(H3,23,25,26,27);3,6-12H,2,4-5H2,1H3,(H2,23,24,25);3-6,9-11H,7-8H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);3,5,7-9,11-12H,4,6,10H2,1-2H3,(H2,22,27,28)(H3,21,23,25,26);5,7,9,11H,6,8,10H2,1-4H3,(H,24,25)(H2,21,22,23);3,5,7-9,11H,4,6,10H2,1-2H3,(H3,21,22,23,24).

What are the key properties of 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine has a molecular weight of 2816.78 g/mol, XLogP of 23.82, 45 rotatable bonds, 16 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]butylsulfonyl]benzenesulfonamide;2-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-4-carbonitrile;6-[3-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]propyl]pyridine-3-sulfonamide;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-N-[3-(6-chloropyridazin-3-yl)propyl]-6-(2,3-dimethylphenyl)pyrimidine-2,4-diamine;4-(2,3-dichlorophenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 158253219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).