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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine

C117H114Cl6F6N30O8S4 — CID 161031070

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine (PubChem CID 161031070) has the molecular formula C117H114Cl6F6N30O8S4 and a molecular weight of 2523.37 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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine.

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine
• PubChem CID: 161031070
• Molecular Formula: C117H114Cl6F6N30O8S4
• Molecular Weight: 2523.37 g/mol
• Exact Mass: 2518.64
• 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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine
• SMILES: C#CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.Cc1c(F)ccc(-c2cc(CC3CC3)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(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1.Nc1nc(NCCc2ccc(S(N)(=O)=O)cc2)cc(-c2ccc(F)cc2Cl)n1
• InChI: InChI=1S/C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S.C16H18FN3.C13H12Cl2N4.C13H10Cl2N4/c1-12-10-14(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;1-9-10(2)14(17)6-5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10;1-2-6-17-11-7-10(18-13(16)19-11)8-4-3-5-9(14)12(8)15/h2-7,10-11H,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);5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);1-3,6-7H,4-5H2,(H3,16,17,18,19);1,3-5,7H,6H2,(H3,16,17,18,19)
• InChIKey: TZPUWKVGMRWAEI-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 663.39 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 33
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.37
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine (CID 161031070) 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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine.

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine is C#CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.Cc1c(F)ccc(-c2cc(CC3CC3)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(NC2CC2)cc(-c2cccc(Cl)c2Cl)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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

The InChIKey is TZPUWKVGMRWAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2S.C19H17F3N4O2S.C19H20FN5O2S.C18H17ClFN5O2S.C16H18FN3.C13H12Cl2N4.C13H10Cl2N4/c1-12-10-14(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;1-9-10(2)14(17)6-5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10;1-2-6-17-11-7-10(18-13(16)19-11)8-4-3-5-9(14)12(8)15/h2-7,10-11H,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);5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);1-3,6-7H,4-5H2,(H3,16,17,18,19);1,3-5,7H,6H2,(H3,16,17,18,19).

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine?

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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine has a molecular weight of 2523.37 g/mol, XLogP of 21.37, 33 rotatable bonds, 16 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;4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine is sourced from PubChem (CID 161031070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).