1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine

C63H57F3N16O3S4 — CID 159622402

About 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine

1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine (PubChem CID 159622402) has the molecular formula C63H57F3N16O3S4 and a molecular weight of 1271.52 g/mol. Its IUPAC name is 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine
• PubChem CID: 159622402
• Molecular Formula: C63H57F3N16O3S4
• Molecular Weight: 1271.52 g/mol
• Exact Mass: 1270.36
• IUPAC Name: 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine
• SMILES: CC(=O)c1nc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cs1.COc1cc(Nc2nccc(-c3cscn3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(Nc2nccc(-c3csc(CO)n3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3cscn3)n2)c1
• InChI: InChI=1S/C17H16N4OS.C16H16N4OS.C15H11F3N4OS.C15H14N4S/c1-10-6-11(2)8-13(7-10)19-17-18-5-4-14(21-17)15-9-23-16(20-15)12(3)22;1-10-5-11(2)7-12(6-10)18-16-17-4-3-13(20-16)14-9-22-15(8-21)19-14;1-23-11-5-9(15(16,17)18)4-10(6-11)21-14-19-3-2-12(22-14)13-7-24-8-20-13;1-10-5-11(2)7-12(6-10)18-15-16-4-3-13(19-15)14-8-20-9-17-14/h4-9H,1-3H3,(H,18,19,21);3-7,9,21H,8H2,1-2H3,(H,17,18,20);2-8H,1H3,(H,19,21,22);3-9H,1-2H3,(H,16,18,19)
• InChIKey: MOBCCWHKWUSUQU-UHFFFAOYSA-N
• XLogP: 15.95
• TPSA: 249.33 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1271.52
LogP ≤ 5	15.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine?

The IUPAC name of 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine (CID 159622402) is 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine?

The canonical SMILES for 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine is CC(=O)c1nc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)cs1.COc1cc(Nc2nccc(-c3cscn3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(Nc2nccc(-c3csc(CO)n3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3cscn3)n2)c1.

What is the InChIKey of 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine?

The InChIKey is MOBCCWHKWUSUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS.C16H16N4OS.C15H11F3N4OS.C15H14N4S/c1-10-6-11(2)8-13(7-10)19-17-18-5-4-14(21-17)15-9-23-16(20-15)12(3)22;1-10-5-11(2)7-12(6-10)18-16-17-4-3-13(20-16)14-9-22-15(8-21)19-14;1-23-11-5-9(15(16,17)18)4-10(6-11)21-14-19-3-2-12(22-14)13-7-24-8-20-13;1-10-5-11(2)7-12(6-10)18-15-16-4-3-13(19-15)14-8-20-9-17-14/h4-9H,1-3H3,(H,18,19,21);3-7,9,21H,8H2,1-2H3,(H,17,18,20);2-8H,1H3,(H,19,21,22);3-9H,1-2H3,(H,16,18,19).

What are the key properties of 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine?

1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine has a molecular weight of 1271.52 g/mol, XLogP of 15.95, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanone;[4-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(1,3-thiazol-4-yl)pyrimidin-2-amine;N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-(1,3-thiazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 159622402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).