2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

C83H98F3N25O3S4 — CID 157054075

About 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (PubChem CID 157054075) has the molecular formula C83H98F3N25O3S4 and a molecular weight of 1679.13 g/mol. Its IUPAC name is 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
• PubChem CID: 157054075
• Molecular Formula: C83H98F3N25O3S4
• Molecular Weight: 1679.13 g/mol
• Exact Mass: 1677.71
• IUPAC Name: 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
• SMILES: Cc1cc(C)cc(Nc2nccc(-c3ncc(CNCCN4CCN(C)CC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CNCCNCCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CNCCn4ccnc4)s3)n2)c1.Oc1cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C23H31N7S.C21H23N7S.C20H26N6OS.C19H18F3N5O2S/c1-17-12-18(2)14-19(13-17)27-23-25-5-4-21(28-23)22-26-16-20(31-22)15-24-6-7-30-10-8-29(3)9-11-30;1-15-9-16(2)11-17(10-15)26-21-24-4-3-19(27-21)20-25-13-18(29-20)12-22-5-7-28-8-6-23-14-28;1-14-9-15(2)11-16(10-14)25-20-23-4-3-18(26-20)19-24-13-17(28-19)12-22-6-5-21-7-8-27;20-19(21,22)12-7-13(9-14(28)8-12)25-18-23-2-1-16(26-18)17-24-10-15(30-17)11-27-3-5-29-6-4-27/h4-5,12-14,16,24H,6-11,15H2,1-3H3,(H,25,27,28);3-4,6,8-11,13-14,22H,5,7,12H2,1-2H3,(H,24,26,27);3-4,9-11,13,21-22,27H,5-8,12H2,1-2H3,(H,23,25,26);1-2,7-10,28H,3-6,11H2,(H,23,25,26)
• InChIKey: AANSIHHCOBBPSI-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 328.15 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1679.13
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

The IUPAC name of 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (CID 157054075) is 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

What is the SMILES notation for 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

The canonical SMILES for 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is Cc1cc(C)cc(Nc2nccc(-c3ncc(CNCCN4CCN(C)CC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CNCCNCCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CNCCn4ccnc4)s3)n2)c1.Oc1cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

The InChIKey is AANSIHHCOBBPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7S.C21H23N7S.C20H26N6OS.C19H18F3N5O2S/c1-17-12-18(2)14-19(13-17)27-23-25-5-4-21(28-23)22-26-16-20(31-22)15-24-6-7-30-10-8-29(3)9-11-30;1-15-9-16(2)11-17(10-15)26-21-24-4-3-19(27-21)20-25-13-18(29-20)12-22-5-7-28-8-6-23-14-28;1-14-9-15(2)11-16(10-14)25-20-23-4-3-18(26-20)19-24-13-17(28-19)12-22-6-5-21-7-8-27;20-19(21,22)12-7-13(9-14(28)8-12)25-18-23-2-1-16(26-18)17-24-10-15(30-17)11-27-3-5-29-6-4-27/h4-5,12-14,16,24H,6-11,15H2,1-3H3,(H,25,27,28);3-4,6,8-11,13-14,22H,5,7,12H2,1-2H3,(H,24,26,27);3-4,9-11,13,21-22,27H,5-8,12H2,1-2H3,(H,23,25,26);1-2,7-10,28H,3-6,11H2,(H,23,25,26).

What are the key properties of 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol has a molecular weight of 1679.13 g/mol, XLogP of 13.78, 31 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methylamino]ethylamino]ethanol;N-(3,5-dimethylphenyl)-4-[5-[(2-imidazol-1-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[5-[[2-(4-methylpiperazin-1-yl)ethylamino]methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;3-[[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 157054075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).