4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine

C82H90Cl4FN23O6S3 — CID 159433844

About 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine

4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine (PubChem CID 159433844) has the molecular formula C82H90Cl4FN23O6S3 and a molecular weight of 1756.82 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine
• PubChem CID: 159433844
• Molecular Formula: C82H90Cl4FN23O6S3
• Molecular Weight: 1756.82 g/mol
• Exact Mass: 1753.57
• IUPAC Name: 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine
• SMILES: Cc1c(F)ccc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCCCS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Nc1nc(NCCc2ccc(Cl)cc2)nc(-c2ccc[nH]2)n1.[2H]C([2H])([2H])Nc1cc(-c2cccc(C)c2Cl)nc(N)n1.[2H]C([2H])([2H])Nc1cc(-c2cccc(Cl)c2Cl)nc(N)n1
• InChI: InChI=1S/C24H30N4O4S2.C20H22FN5O2S.C15H15ClN6.C12H13ClN4.C11H10Cl2N4/c1-17-8-7-9-21(18(17)2)22-16-23(28-24(25)27-22)26-14-5-4-6-15-34(31,32)20-12-10-19(11-13-20)33(3,29)30;1-12-13(2)17(21)8-7-16(12)18-11-19(26-20(22)25-18)24-10-9-14-3-5-15(6-4-14)29(23,27)28;16-11-5-3-10(4-6-11)7-9-19-15-21-13(20-14(17)22-15)12-2-1-8-18-12;1-7-4-3-5-8(11(7)13)9-6-10(15-2)17-12(14)16-9;1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h7-13,16H,4-6,14-15H2,1-3H3,(H3,25,26,27,28);3-8,11H,9-10H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);1-6,8,18H,7,9H2,(H3,17,19,20,21,22);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17)/i;;;2D3;1D3
• InChIKey: LRHYSHUZQXLNCC-WTDZCXBYSA-N
• XLogP: 15.15
• TPSA: 476.27 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1756.82
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine (CID 159433844) is 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine is Cc1c(F)ccc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c1C.Cc1cccc(-c2cc(NCCCCCS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Nc1nc(NCCc2ccc(Cl)cc2)nc(-c2ccc[nH]2)n1.[2H]C([2H])([2H])Nc1cc(-c2cccc(C)c2Cl)nc(N)n1.[2H]C([2H])([2H])Nc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.

What is the InChIKey of 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine?

The InChIKey is LRHYSHUZQXLNCC-WTDZCXBYSA-N. The full InChI is InChI=1S/C24H30N4O4S2.C20H22FN5O2S.C15H15ClN6.C12H13ClN4.C11H10Cl2N4/c1-17-8-7-9-21(18(17)2)22-16-23(28-24(25)27-22)26-14-5-4-6-15-34(31,32)20-12-10-19(11-13-20)33(3,29)30;1-12-13(2)17(21)8-7-16(12)18-11-19(26-20(22)25-18)24-10-9-14-3-5-15(6-4-14)29(23,27)28;16-11-5-3-10(4-6-11)7-9-19-15-21-13(20-14(17)22-15)12-2-1-8-18-12;1-7-4-3-5-8(11(7)13)9-6-10(15-2)17-12(14)16-9;1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h7-13,16H,4-6,14-15H2,1-3H3,(H3,25,26,27,28);3-8,11H,9-10H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);1-6,8,18H,7,9H2,(H3,17,19,20,21,22);3-6H,1-2H3,(H3,14,15,16,17);2-5H,1H3,(H3,14,15,16,17)/i;;;2D3;1D3.

What are the key properties of 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine?

4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine has a molecular weight of 1756.82 g/mol, XLogP of 15.15, 27 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;6-(2-chloro-3-methylphenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;2-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)-1,3,5-triazine-2,4-diamine;6-(2,3-dichlorophenyl)-4-N-(trideuteriomethyl)pyrimidine-2,4-diamine;6-(2,3-dimethylphenyl)-4-N-[5-(4-methylsulfonylphenyl)sulfonylpentyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159433844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).