4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine

C126H137Cl6F2N25O10S3 — CID 162262762

About 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine (PubChem CID 162262762) has the molecular formula C126H137Cl6F2N25O10S3 and a molecular weight of 2508.56 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
• PubChem CID: 162262762
• Molecular Formula: C126H137Cl6F2N25O10S3
• Molecular Weight: 2508.56 g/mol
• Exact Mass: 2503.82
• IUPAC Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine
• SMILES: Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCC(=O)Cc2cccc(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCC(=O)N2CCOCC2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2F)nc(N)n1
• InChI: InChI=1S/C23H27ClN4O2S.C22H22ClFN4O.C21H23ClN4OS.C21H22ClN3O3S.C20H19ClFN5O.C19H24ClN5O2/c1-15(2)31(29,30)18-11-9-17(10-12-18)6-5-13-26-22-14-21(27-23(25)28-22)19-7-4-8-20(24)16(19)3;1-14-18(8-3-9-19(14)23)20-13-21(28-22(25)27-20)26-10-4-7-17(29)12-15-5-2-6-16(24)11-15;1-14-18(6-3-7-19(14)22)20-13-16(25-21(23)26-20)5-4-12-24-15-8-10-17(11-9-15)28(2)27;1-13-17(4-3-5-18(13)22)19-12-15(24-21(23)25-19)8-11-20(26)14-6-9-16(10-7-14)29(2,27)28;1-11-14(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-13(19(23)28)9-16(12)22;1-13-14(4-2-5-15(13)20)16-12-17(24-19(21)23-16)22-7-3-6-18(26)25-8-10-27-11-9-25/h4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);2-3,5-6,8-9,11,13H,4,7,10,12H2,1H3,(H3,25,26,27,28);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);3-7,9-10,12,20,26H,8,11H2,1-2H3,(H2,23,24,25);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);2,4-5,12H,3,6-11H2,1H3,(H3,21,22,23,24)
• InChIKey: ZZMAWYGEDJIDER-UHFFFAOYSA-N
• XLogP: 24.29
• TPSA: 566.23 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2508.56
LogP ≤ 5	24.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

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-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine (CID 162262762) is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine is Cc1c(Cl)cccc1-c1cc(CCC(O)c2ccc(S(C)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCC(=O)Cc2cccc(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCC(=O)N2CCOCC2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)cc2F)nc(N)n1.

What is the InChIKey of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?

The InChIKey is ZZMAWYGEDJIDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2S.C22H22ClFN4O.C21H23ClN4OS.C21H22ClN3O3S.C20H19ClFN5O.C19H24ClN5O2/c1-15(2)31(29,30)18-11-9-17(10-12-18)6-5-13-26-22-14-21(27-23(25)28-22)19-7-4-8-20(24)16(19)3;1-14-18(8-3-9-19(14)23)20-13-21(28-22(25)27-20)26-10-4-7-17(29)12-15-5-2-6-16(24)11-15;1-14-18(6-3-7-19(14)22)20-13-16(25-21(23)26-20)5-4-12-24-15-8-10-17(11-9-15)28(2)27;1-13-17(4-3-5-18(13)22)19-12-15(24-21(23)25-19)8-11-20(26)14-6-9-16(10-7-14)29(2,27)28;1-11-14(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-13(19(23)28)9-16(12)22;1-13-14(4-2-5-15(13)20)16-12-17(24-19(21)23-16)22-7-3-6-18(26)25-8-10-27-11-9-25/h4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);2-3,5-6,8-9,11,13H,4,7,10,12H2,1H3,(H3,25,26,27,28);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);3-7,9-10,12,20,26H,8,11H2,1-2H3,(H2,23,24,25);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);2,4-5,12H,3,6-11H2,1H3,(H3,21,22,23,24).

What are the key properties of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine?

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine has a molecular weight of 2508.56 g/mol, XLogP of 24.29, 41 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;5-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-(3-fluorophenyl)pentan-2-one;4-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]-1-morpholin-4-ylbutan-1-one;3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]-1-(4-methylsulfonylphenyl)propan-1-ol;4-(3-chloro-2-methylphenyl)-6-[3-(4-methylsulfinylanilino)propyl]pyrimidin-2-amine;6-(3-chloro-2-methylphenyl)-4-N-[3-(4-propan-2-ylsulfonylphenyl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 162262762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).