4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine

C117H118Cl4F6N26O12S6 — CID 158051283

About 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine

4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine (PubChem CID 158051283) has the molecular formula C117H118Cl4F6N26O12S6 and a molecular weight of 2528.60 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine
• PubChem CID: 158051283
• Molecular Formula: C117H118Cl4F6N26O12S6
• Molecular Weight: 2528.60 g/mol
• Exact Mass: 2524.64
• IUPAC Name: 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine
• SMILES: Cc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(F)ccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc1F.Cc1cc(Cl)ccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)c(F)c2F)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)cc2Cl)n1
• InChI: InChI=1S/C22H24FN3O2S.C20H20Cl2N4O2S.C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S/c1-14-15(2)20(23)12-11-19(14)21-13-17(25-22(24)26-21)6-4-5-16-7-9-18(10-8-16)29(3,27)28;1-12-15(7-8-16(21)19(12)22)17-11-18(26-20(23)25-17)24-10-9-13-3-5-14(6-4-13)29(2,27)28;1-12-10-14(20)4-7-16(12)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;20-15-9-8-14(17(21)18(15)22)16-10-12(25-19(23)26-16)3-1-2-11-4-6-13(7-5-11)29(24,27)28;1-12-10-14(4-7-16(12)20)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;19-15-9-12(20)3-6-14(15)16-10-17(25-18(21)24-16)23-8-7-11-1-4-13(5-2-11)28(22,26)27/h7-13H,4-6H2,1-3H3,(H2,24,25,26);3-8,11H,9-10H2,1-2H3,(H3,23,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);4-10H,1-3H2,(H2,23,25,26)(H2,24,27,28);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1-6,9-10H,7-8H2,(H2,22,26,27)(H3,21,23,24,25)
• InChIKey: FJNABUCAPJGNGX-UHFFFAOYSA-N
• XLogP: 19.71
• TPSA: 667.84 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 34
• Rotatable Bonds: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2528.60
LogP ≤ 5	19.71
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine?

The IUPAC name of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine (CID 158051283) is 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine.

What is the SMILES notation for 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine?

The canonical SMILES for 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine is Cc1c(-c2cc(NCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(F)ccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc1F.Cc1cc(Cl)ccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Nc1nc(CCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)c(F)c2F)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)cc2Cl)n1.

What is the InChIKey of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine?

The InChIKey is FJNABUCAPJGNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S.C20H20Cl2N4O2S.C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S/c1-14-15(2)20(23)12-11-19(14)21-13-17(25-22(24)26-21)6-4-5-16-7-9-18(10-8-16)29(3,27)28;1-12-15(7-8-16(21)19(12)22)17-11-18(26-20(23)25-17)24-10-9-13-3-5-14(6-4-13)29(2,27)28;1-12-10-14(20)4-7-16(12)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;20-15-9-8-14(17(21)18(15)22)16-10-12(25-19(23)26-16)3-1-2-11-4-6-13(7-5-11)29(24,27)28;1-12-10-14(4-7-16(12)20)17-11-18(25-19(21)24-17)23-9-8-13-2-5-15(6-3-13)28(22,26)27;19-15-9-12(20)3-6-14(15)16-10-17(25-18(21)24-16)23-8-7-11-1-4-13(5-2-11)28(22,26)27/h7-13H,4-6H2,1-3H3,(H2,24,25,26);3-8,11H,9-10H2,1-2H3,(H3,23,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);4-10H,1-3H2,(H2,23,25,26)(H2,24,27,28);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1-6,9-10H,7-8H2,(H2,22,26,27)(H3,21,23,24,25).

What are the key properties of 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine?

4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine has a molecular weight of 2528.60 g/mol, XLogP of 19.71, 36 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(2-chloro-4-fluorophenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(4-fluoro-3-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(2,3,4-trifluorophenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3,4-dichloro-2-methylphenyl)-4-N-[2-(4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 158051283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).