[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

C69H66F6N16O4S4 — CID 157338748

About [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol

[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (PubChem CID 157338748) has the molecular formula C69H66F6N16O4S4 and a molecular weight of 1425.65 g/mol. Its IUPAC name is [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
• PubChem CID: 157338748
• Molecular Formula: C69H66F6N16O4S4
• Molecular Weight: 1425.65 g/mol
• Exact Mass: 1424.42
• IUPAC Name: [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol
• SMILES: CC(=O)OCc1nc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)sc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CO)s3)n2)c1.Cc1cc(Nc2nccc(-c3nc(C)c(C)s3)n2)cc(C(F)(F)F)c1.Cc1nc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)sc1C
• InChI: InChI=1S/C19H20N4O2S.C17H15F3N4S.C17H18N4OS.C16H13F3N4OS/c1-11-7-12(2)9-15(8-11)21-19-20-6-5-16(23-19)18-22-17(13(3)26-18)10-25-14(4)24;1-9-6-12(17(18,19)20)8-13(7-9)23-16-21-5-4-14(24-16)15-22-10(2)11(3)25-15;1-10-6-11(2)8-13(7-10)20-17-18-5-4-14(21-17)16-19-12(3)15(9-22)23-16;1-8-9(2)25-14(21-8)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(24)7-11/h5-9H,10H2,1-4H3,(H,20,21,23);4-8H,1-3H3,(H,21,23,24);4-8,22H,9H2,1-3H3,(H,18,20,21);3-7,24H,1-2H3,(H,20,22,23)
• InChIKey: BGDNDDJIRFBJJA-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 269.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1425.65
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

The IUPAC name of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol (CID 157338748) is [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol.

What is the SMILES notation for [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

The canonical SMILES for [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is CC(=O)OCc1nc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)sc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CO)s3)n2)c1.Cc1cc(Nc2nccc(-c3nc(C)c(C)s3)n2)cc(C(F)(F)F)c1.Cc1nc(-c2ccnc(Nc3cc(O)cc(C(F)(F)F)c3)n2)sc1C.

What is the InChIKey of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

The InChIKey is BGDNDDJIRFBJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S.C17H15F3N4S.C17H18N4OS.C16H13F3N4OS/c1-11-7-12(2)9-15(8-11)21-19-20-6-5-16(23-19)18-22-17(13(3)26-18)10-25-14(4)24;1-9-6-12(17(18,19)20)8-13(7-9)23-16-21-5-4-14(24-16)15-22-10(2)11(3)25-15;1-10-6-11(2)8-13(7-10)20-17-18-5-4-14(21-17)16-19-12(3)15(9-22)23-16;1-8-9(2)25-14(21-8)13-3-4-20-15(23-13)22-11-5-10(16(17,18)19)6-12(24)7-11/h5-9H,10H2,1-4H3,(H,20,21,23);4-8H,1-3H3,(H,21,23,24);4-8,22H,9H2,1-3H3,(H,18,20,21);3-7,24H,1-2H3,(H,20,22,23).

What are the key properties of [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol?

[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol has a molecular weight of 1425.65 g/mol, XLogP of 18.07, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methanol;[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-5-methyl-1,3-thiazol-4-yl]methyl acetate;4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[3-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;3-[[4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-yl]amino]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 157338748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).