butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol

C67H60F6N16O6S4 — CID 160857645

About butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol

butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 160857645) has the molecular formula C67H60F6N16O6S4 and a molecular weight of 1427.58 g/mol. Its IUPAC name is butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

• Compound Name: butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
• PubChem CID: 160857645
• Molecular Formula: C67H60F6N16O6S4
• Molecular Weight: 1427.58 g/mol
• Exact Mass: 1426.37
• IUPAC Name: butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
• SMILES: CCCCOC(=O)c1ccccc1Nc1nccc(-c2ncc(C)s2)n1.COC(=O)c1ccc(Nc2nccc(-c3ncc(C)s3)n2)cc1C.Cc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1.Cc1cnc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)s1
• InChI: InChI=1S/C19H20N4O2S.C17H16N4O2S.C16H13F3N4OS.C15H11F3N4OS/c1-3-4-11-25-18(24)14-7-5-6-8-15(14)22-19-20-10-9-16(23-19)17-21-12-13(2)26-17;1-10-8-12(4-5-13(10)16(22)23-3)20-17-18-7-6-14(21-17)15-19-9-11(2)24-15;1-9-4-10(16(17,18)19)6-11(5-9)22-15-20-3-2-13(23-15)14-21-12(7-24)8-25-14;1-8-7-20-13(24-8)12-2-3-19-14(22-12)21-10-4-9(15(16,17)18)5-11(23)6-10/h5-10,12H,3-4,11H2,1-2H3,(H,20,22,23);4-9H,1-3H3,(H,18,20,21);2-6,8,24H,7H2,1H3,(H,20,22,23);2-7,23H,1H3,(H,19,21,22)
• InChIKey: SKBKXFZGXTVYFS-UHFFFAOYSA-N
• XLogP: 16.90
• TPSA: 295.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1427.58
LogP ≤ 5	16.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

The IUPAC name of butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol (CID 160857645) is butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol.

What is the SMILES notation for butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

The canonical SMILES for butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol is CCCCOC(=O)c1ccccc1Nc1nccc(-c2ncc(C)s2)n1.COC(=O)c1ccc(Nc2nccc(-c3ncc(C)s3)n2)cc1C.Cc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1.Cc1cnc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)s1.

What is the InChIKey of butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

The InChIKey is SKBKXFZGXTVYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C17H16N4O2S.C16H13F3N4OS.C15H11F3N4OS/c1-3-4-11-25-18(24)14-7-5-6-8-15(14)22-19-20-10-9-16(23-19)17-21-12-13(2)26-17;1-10-8-12(4-5-13(10)16(22)23-3)20-17-18-7-6-14(21-17)15-19-9-11(2)24-15;1-9-4-10(16(17,18)19)6-11(5-9)22-15-20-3-2-13(23-15)14-21-12(7-24)8-25-14;1-8-7-20-13(24-8)12-2-3-19-14(22-12)21-10-4-9(15(16,17)18)5-11(23)6-10/h5-10,12H,3-4,11H2,1-2H3,(H,20,22,23);4-9H,1-3H3,(H,18,20,21);2-6,8,24H,7H2,1H3,(H,20,22,23);2-7,23H,1H3,(H,19,21,22).

What are the key properties of butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 1427.58 g/mol, XLogP of 16.90, 18 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 2-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;methyl 2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]benzoate;3-[[4-(5-methyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol;[2-[2-[3-methyl-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 160857645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).