4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine

C95H97Cl4FN22O8S4 — CID 157455689

About 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine

4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine (PubChem CID 157455689) has the molecular formula C95H97Cl4FN22O8S4 and a molecular weight of 1964.04 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-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-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine
• PubChem CID: 157455689
• Molecular Formula: C95H97Cl4FN22O8S4
• Molecular Weight: 1964.04 g/mol
• Exact Mass: 1960.55
• IUPAC Name: 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine
• SMILES: C#CCNc1cc(-c2cccc(Cl)c2C)nc(N)n1.Cc1c(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(C#N)cccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(F)ccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1ccc(Cl)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1
• InChI: InChI=1S/C22H24FN3O2S.C20H20Cl2N4O2S.C20H20N6O2S.C19H20ClN5O2S.C14H13ClN4/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;1-12-16(9-10-17(21)19(12)22)18-11-14(25-20(23)26-18)4-2-3-13-5-7-15(8-6-13)29(24,27)28;1-13-15(12-21)3-2-4-17(13)18-11-19(26-20(22)25-18)24-10-9-14-5-7-16(8-6-14)29(23,27)28;1-12-2-5-14(20)10-16(12)17-11-18(25-19(21)24-17)23-9-8-13-3-6-15(7-4-13)28(22,26)27;1-3-7-17-13-8-12(18-14(16)19-13)10-5-4-6-11(15)9(10)2/h7-13H,4-6H2,1-3H3,(H2,24,25,26);5-11H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28);2-8,11H,9-10H2,1H3,(H2,23,27,28)(H3,22,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1,4-6,8H,7H2,2H3,(H3,16,17,18,19)
• InChIKey: BTIFIACCLZADQV-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 533.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.04
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-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-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine (CID 157455689) is 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-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-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-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-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine is C#CCNc1cc(-c2cccc(Cl)c2C)nc(N)n1.Cc1c(-c2cc(CCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)ccc(Cl)c1Cl.Cc1c(C#N)cccc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(F)ccc(-c2cc(CCCc3ccc(S(C)(=O)=O)cc3)nc(N)n2)c1C.Cc1ccc(Cl)cc1-c1cc(NCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.

What is the InChIKey of 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine?

The InChIKey is BTIFIACCLZADQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S.C20H20Cl2N4O2S.C20H20N6O2S.C19H20ClN5O2S.C14H13ClN4/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;1-12-16(9-10-17(21)19(12)22)18-11-14(25-20(23)26-18)4-2-3-13-5-7-15(8-6-13)29(24,27)28;1-13-15(12-21)3-2-4-17(13)18-11-19(26-20(22)25-18)24-10-9-14-5-7-16(8-6-14)29(23,27)28;1-12-2-5-14(20)10-16(12)17-11-18(25-19(21)24-17)23-9-8-13-3-6-15(7-4-13)28(22,26)27;1-3-7-17-13-8-12(18-14(16)19-13)10-5-4-6-11(15)9(10)2/h7-13H,4-6H2,1-3H3,(H2,24,25,26);5-11H,2-4H2,1H3,(H2,23,25,26)(H2,24,27,28);2-8,11H,9-10H2,1H3,(H2,23,27,28)(H3,22,24,25,26);2-7,10-11H,8-9H2,1H3,(H2,22,26,27)(H3,21,23,24,25);1,4-6,8H,7H2,2H3,(H3,16,17,18,19).

What are the key properties of 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine?

4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine has a molecular weight of 1964.04 g/mol, XLogP of 16.15, 27 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(5-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[2-[[2-amino-6-(3-cyano-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-[3-[2-amino-6-(3,4-dichloro-2-methylphenyl)pyrimidin-4-yl]propyl]benzenesulfonamide;6-(3-chloro-2-methylphenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(4-fluoro-2,3-dimethylphenyl)-6-[3-(4-methylsulfonylphenyl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 157455689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).