4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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

C126H142Cl6FN27O10S4 — CID 160511408

About 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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 160511408) has the molecular formula C126H142Cl6FN27O10S4 and a molecular weight of 2554.68 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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: 160511408
• Molecular Formula: C126H142Cl6FN27O10S4
• Molecular Weight: 2554.68 g/mol
• Exact Mass: 2549.84
• IUPAC Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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(CC2CN(c3ccc(S(N)(=O)=O)cc3)C2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCNC(=O)OC(C)(C)C)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.C22H25ClN4O2S.C21H22ClN5O2S.C21H23ClN4OS.C20H19ClFN5O.C19H26ClN5O2/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;1-15-19(8-5-9-20(15)23)21-14-17(26-22(24)27-21)7-4-2-3-6-16-10-12-18(13-11-16)30(25,28)29;1-13-18(3-2-4-19(13)22)20-10-15(25-21(23)26-20)9-14-11-27(12-14)16-5-7-17(8-6-16)30(24,28)29;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;1-11-14(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;1-12-13(7-5-8-14(12)20)15-11-16(25-17(21)24-15)22-9-6-10-23-18(26)27-19(2,3)4/h4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);5,8-14H,2-4,6-7H2,1H3,(H2,24,26,27)(H2,25,28,29);2-8,10,14H,9,11-12H2,1H3,(H2,23,25,26)(H2,24,28,29);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);5,7-8,11H,6,9-10H2,1-4H3,(H,23,26)(H3,21,22,24,25)
• InChIKey: QTCACOBRVYONEE-UHFFFAOYSA-N
• XLogP: 24.28
• TPSA: 615.11 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 33
• Rotatable Bonds: 40
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2554.68
LogP ≤ 5	24.28
H-Bond Donors ≤ 5	14
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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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 160511408) is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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(CC2CN(c3ccc(S(N)(=O)=O)cc3)C2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCCCc2ccc(S(N)(=O)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCNc2ccc(S(C)=O)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCNC(=O)OC(C)(C)C)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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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 QTCACOBRVYONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2S.C22H25ClN4O2S.C21H22ClN5O2S.C21H23ClN4OS.C20H19ClFN5O.C19H26ClN5O2/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;1-15-19(8-5-9-20(15)23)21-14-17(26-22(24)27-21)7-4-2-3-6-16-10-12-18(13-11-16)30(25,28)29;1-13-18(3-2-4-19(13)22)20-10-15(25-21(23)26-20)9-14-11-27(12-14)16-5-7-17(8-6-16)30(24,28)29;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;1-11-14(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;1-12-13(7-5-8-14(12)20)15-11-16(25-17(21)24-15)22-9-6-10-23-18(26)27-19(2,3)4/h4,7-12,14-15H,5-6,13H2,1-3H3,(H3,25,26,27,28);5,8-14H,2-4,6-7H2,1H3,(H2,24,26,27)(H2,25,28,29);2-8,10,14H,9,11-12H2,1H3,(H2,23,25,26)(H2,24,28,29);3,6-11,13,24H,4-5,12H2,1-2H3,(H2,23,25,26);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);5,7-8,11H,6,9-10H2,1-4H3,(H,23,26)(H3,21,22,24,25).

What are the key properties of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-3-fluorobenzamide;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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 2554.68 g/mol, XLogP of 24.28, 40 rotatable bonds, 14 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;4-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]methyl]azetidin-1-yl]benzenesulfonamide;4-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]benzenesulfonamide;tert-butyl N-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propyl]carbamate;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 160511408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).