4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine

C125H134Cl6F2N30O9S3 — CID 159846445

About 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 159846445) has the molecular formula C125H134Cl6F2N30O9S3 and a molecular weight of 2547.56 g/mol. Its IUPAC name is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
• PubChem CID: 159846445
• Molecular Formula: C125H134Cl6F2N30O9S3
• Molecular Weight: 2547.56 g/mol
• Exact Mass: 2542.82
• IUPAC Name: 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine
• SMILES: Cc1c(Cl)cccc1-c1cc(CCCCCc2nccc(C(N)=O)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCNc2ccc(C(N)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)c(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(C)(=O)=O)c(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(S(=O)(=O)C(C)C)c2)nc(N)n1
• InChI: InChI=1S/2C22H25ClN4O2S.C21H23ClN6O.C20H19ClFN5O.C20H20ClFN4O2S.C20H22ClN7O/c1-14(2)30(28,29)17-7-4-6-16(12-17)10-11-25-21-13-20(26-22(24)27-21)18-8-5-9-19(23)15(18)3;1-14(2)30(28,29)17-9-7-16(8-10-17)11-12-25-21-13-20(26-22(24)27-21)18-5-4-6-19(23)15(18)3;1-13-15(7-5-8-16(13)22)18-12-14(26-21(24)28-18)6-3-2-4-9-19-25-11-10-17(27-19)20(23)29;1-11-13(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-14(19(23)28)16(22)9-12;1-12-14(4-3-5-15(12)21)17-11-19(26-20(23)25-17)24-9-8-13-6-7-18(16(22)10-13)29(2,27)28;1-12-14(4-2-5-15(12)21)16-10-18(28-20(23)27-16)25-9-3-8-24-17-7-6-13(11-26-17)19(22)29/h4-9,12-14H,10-11H2,1-3H3,(H3,24,25,26,27);4-10,13-14H,11-12H2,1-3H3,(H3,24,25,26,27);5,7-8,10-12H,2-4,6,9H2,1H3,(H2,23,29)(H2,24,26,28);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);3-7,10-11H,8-9H2,1-2H3,(H3,23,24,25,26);2,4-7,10-11H,3,8-9H2,1H3,(H2,22,29)(H,24,26)(H3,23,25,27,28)
• InChIKey: NPJGEQNWACSDDI-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 653.34 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 42
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2547.56
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

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]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?

The IUPAC name of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine (CID 159846445) is 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?

The canonical SMILES for 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine is Cc1c(Cl)cccc1-c1cc(CCCCCc2nccc(C(N)=O)n2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCCNc2ccc(C(N)=O)cn2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(C(N)=O)c(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(=O)(=O)C(C)C)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2ccc(S(C)(=O)=O)c(F)c2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(NCCc2cccc(S(=O)(=O)C(C)C)c2)nc(N)n1.

What is the InChIKey of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?

The InChIKey is NPJGEQNWACSDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25ClN4O2S.C21H23ClN6O.C20H19ClFN5O.C20H20ClFN4O2S.C20H22ClN7O/c1-14(2)30(28,29)17-7-4-6-16(12-17)10-11-25-21-13-20(26-22(24)27-21)18-8-5-9-19(23)15(18)3;1-14(2)30(28,29)17-9-7-16(8-10-17)11-12-25-21-13-20(26-22(24)27-21)18-5-4-6-19(23)15(18)3;1-13-15(7-5-8-16(13)22)18-12-14(26-21(24)28-18)6-3-2-4-9-19-25-11-10-17(27-19)20(23)29;1-11-13(3-2-4-15(11)21)17-10-18(27-20(24)26-17)25-8-7-12-5-6-14(19(23)28)16(22)9-12;1-12-14(4-3-5-15(12)21)17-11-19(26-20(23)25-17)24-9-8-13-6-7-18(16(22)10-13)29(2,27)28;1-12-14(4-2-5-15(12)21)16-10-18(28-20(23)27-16)25-9-3-8-24-17-7-6-13(11-26-17)19(22)29/h4-9,12-14H,10-11H2,1-3H3,(H3,24,25,26,27);4-10,13-14H,11-12H2,1-3H3,(H3,24,25,26,27);5,7-8,10-12H,2-4,6,9H2,1H3,(H2,23,29)(H2,24,26,28);2-6,9-10H,7-8H2,1H3,(H2,23,28)(H3,24,25,26,27);3-7,10-11H,8-9H2,1-2H3,(H3,23,24,25,26);2,4-7,10-11H,3,8-9H2,1H3,(H2,22,29)(H,24,26)(H3,23,25,27,28).

What are the key properties of 4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine?

4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 2547.56 g/mol, XLogP of 23.14, 42 rotatable bonds, 15 hydrogen bond donors, and 36 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]-2-fluorobenzamide;6-[3-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]propylamino]pyridine-3-carboxamide;2-[5-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]pentyl]pyrimidine-4-carboxamide;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-fluoro-4-methylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(3-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine;6-(3-chloro-2-methylphenyl)-4-N-[2-(4-propan-2-ylsulfonylphenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159846445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).