3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one

C89H95FN18O8S3 — CID 159948615

About 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one

3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 159948615) has the molecular formula C89H95FN18O8S3 and a molecular weight of 1660.06 g/mol. Its IUPAC name is 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

• Compound Name: 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one
• PubChem CID: 159948615
• Molecular Formula: C89H95FN18O8S3
• Molecular Weight: 1660.06 g/mol
• Exact Mass: 1658.67
• IUPAC Name: 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one
• SMILES: CCN(CC)c1ccc(-c2ncc(-n3c(C)nc(C)cc3=O)s2)cc1.Cc1cc(=O)n(-c2ccc(-n3ccnc3)c(F)c2)c(C)n1.Cc1cc(=O)n(-c2cccc(N3CCOCC3)c2)c(C)n1.Cc1cc(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c(C)n1.Cc1cc(C)c(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c1
• InChI: InChI=1S/C20H21N3O2S.C19H20N4O2S.C19H22N4OS.C16H19N3O2.C15H13FN4O/c1-14-11-15(2)20(24)23(13-14)18-12-21-19(26-18)16-3-5-17(6-4-16)22-7-9-25-10-8-22;1-13-11-17(24)23(14(2)21-13)18-12-20-19(26-18)15-3-5-16(6-4-15)22-7-9-25-10-8-22;1-5-22(6-2)16-9-7-15(8-10-16)19-20-12-18(25-19)23-14(4)21-13(3)11-17(23)24;1-12-10-16(20)19(13(2)17-12)15-5-3-4-14(11-15)18-6-8-21-9-7-18;1-10-7-15(21)20(11(2)18-10)12-3-4-14(13(16)8-12)19-6-5-17-9-19/h3-6,11-13H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;7-12H,5-6H2,1-4H3;3-5,10-11H,6-9H2,1-2H3;3-9H,1-2H3
• InChIKey: OBUUSRQXQCNUPT-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 258.70 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 15
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.06
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?

The IUPAC name of 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one (CID 159948615) is 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one.

What is the SMILES notation for 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?

The canonical SMILES for 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one is CCN(CC)c1ccc(-c2ncc(-n3c(C)nc(C)cc3=O)s2)cc1.Cc1cc(=O)n(-c2ccc(-n3ccnc3)c(F)c2)c(C)n1.Cc1cc(=O)n(-c2cccc(N3CCOCC3)c2)c(C)n1.Cc1cc(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c(C)n1.Cc1cc(C)c(=O)n(-c2cnc(-c3ccc(N4CCOCC4)cc3)s2)c1.

What is the InChIKey of 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?

The InChIKey is OBUUSRQXQCNUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S.C19H20N4O2S.C19H22N4OS.C16H19N3O2.C15H13FN4O/c1-14-11-15(2)20(24)23(13-14)18-12-21-19(26-18)16-3-5-17(6-4-16)22-7-9-25-10-8-22;1-13-11-17(24)23(14(2)21-13)18-12-20-19(26-18)15-3-5-16(6-4-15)22-7-9-25-10-8-22;1-5-22(6-2)16-9-7-15(8-10-16)19-20-12-18(25-19)23-14(4)21-13(3)11-17(23)24;1-12-10-16(20)19(13(2)17-12)15-5-3-4-14(11-15)18-6-8-21-9-7-18;1-10-7-15(21)20(11(2)18-10)12-3-4-14(13(16)8-12)19-6-5-17-9-19/h3-6,11-13H,7-10H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;7-12H,5-6H2,1-4H3;3-5,10-11H,6-9H2,1-2H3;3-9H,1-2H3.

What are the key properties of 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one?

3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 1660.06 g/mol, XLogP of 13.90, 15 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-(diethylamino)phenyl]-1,3-thiazol-5-yl]-2,6-dimethylpyrimidin-4-one;2,6-dimethyl-3-(3-morpholin-4-ylphenyl)pyrimidin-4-one;3,5-dimethyl-1-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyridin-2-one;2,6-dimethyl-3-[2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-yl]pyrimidin-4-one;3-(3-fluoro-4-imidazol-1-ylphenyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 159948615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).