2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol

C99H121N29O3S5 — CID 157257959

About 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol

2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol (PubChem CID 157257959) has the molecular formula C99H121N29O3S5 and a molecular weight of 1925.59 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol.

Molecular Properties

• Compound Name: 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol
• PubChem CID: 157257959
• Molecular Formula: C99H121N29O3S5
• Molecular Weight: 1925.59 g/mol
• Exact Mass: 1923.88
• IUPAC Name: 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol
• SMILES: Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCN4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCN4CCOCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCO)s3)n2)c1
• InChI: InChI=1S/C22H28N6S.C21H27N7S.C21H26N6OS.C18H21N5OS.C17H19N5OS/c1-16-12-17(2)14-18(13-16)26-22-24-7-6-19(27-22)21-25-15-20(29-21)23-8-11-28-9-4-3-5-10-28;1-15-11-16(2)13-17(12-15)26-21-24-4-3-18(27-21)20-25-14-19(29-20)23-7-10-28-8-5-22-6-9-28;1-15-11-16(2)13-17(12-15)25-21-23-4-3-18(26-21)20-24-14-19(29-20)22-5-6-27-7-9-28-10-8-27;1-12-8-13(2)10-14(9-12)22-18-20-6-4-15(23-18)17-21-11-16(25-17)19-5-3-7-24;1-11-7-12(2)9-13(8-11)21-17-19-4-3-14(22-17)16-20-10-15(24-16)18-5-6-23/h6-7,12-15,23H,3-5,8-11H2,1-2H3,(H,24,26,27);3-4,11-14,22-23H,5-10H2,1-2H3,(H,24,26,27);3-4,11-14,22H,5-10H2,1-2H3,(H,23,25,26);4,6,8-11,19,24H,3,5,7H2,1-2H3,(H,20,22,23);3-4,7-10,18,23H,5-6H2,1-2H3,(H,19,21,22)
• InChIKey: AXCOKCIWTOSVCX-UHFFFAOYSA-N
• XLogP: 18.96
• TPSA: 385.09 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.59
LogP ≤ 5	18.96
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol?

The IUPAC name of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol (CID 157257959) is 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol.

What is the SMILES notation for 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol?

The canonical SMILES for 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol is Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCN4CCNCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCN4CCOCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(NCCO)s3)n2)c1.

What is the InChIKey of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol?

The InChIKey is AXCOKCIWTOSVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6S.C21H27N7S.C21H26N6OS.C18H21N5OS.C17H19N5OS/c1-16-12-17(2)14-18(13-16)26-22-24-7-6-19(27-22)21-25-15-20(29-21)23-8-11-28-9-4-3-5-10-28;1-15-11-16(2)13-17(12-15)26-21-24-4-3-18(27-21)20-25-14-19(29-20)23-7-10-28-8-5-22-6-9-28;1-15-11-16(2)13-17(12-15)25-21-23-4-3-18(26-21)20-24-14-19(29-20)22-5-6-27-7-9-28-10-8-27;1-12-8-13(2)10-14(9-12)22-18-20-6-4-15(23-18)17-21-11-16(25-17)19-5-3-7-24;1-11-7-12(2)9-13(8-11)21-17-19-4-3-14(22-17)16-20-10-15(24-16)18-5-6-23/h6-7,12-15,23H,3-5,8-11H2,1-2H3,(H,24,26,27);3-4,11-14,22-23H,5-10H2,1-2H3,(H,24,26,27);3-4,11-14,22H,5-10H2,1-2H3,(H,23,25,26);4,6,8-11,19,24H,3,5,7H2,1-2H3,(H,20,22,23);3-4,7-10,18,23H,5-6H2,1-2H3,(H,19,21,22).

What are the key properties of 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol?

2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol has a molecular weight of 1925.59 g/mol, XLogP of 18.96, 34 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol is sourced from PubChem (CID 157257959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).