2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol

C74H81F3N18O4S4 — CID 160829352

About 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol

2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol (PubChem CID 160829352) has the molecular formula C74H81F3N18O4S4 and a molecular weight of 1471.85 g/mol. Its IUPAC name is 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

• Compound Name: 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
• PubChem CID: 160829352
• Molecular Formula: C74H81F3N18O4S4
• Molecular Weight: 1471.85 g/mol
• Exact Mass: 1470.55
• IUPAC Name: 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol
• SMILES: CCCc1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1.COc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN(C)CCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCC[C@H]4CO)s3)n2)c1
• InChI: InChI=1S/C21H25N5OS.C19H23N5OS.C18H20N4S.C16H13F3N4O2S/c1-14-8-15(2)10-16(9-14)24-21-22-6-5-19(25-21)20-23-11-18(28-20)12-26-7-3-4-17(26)13-27;1-13-8-14(2)10-15(9-13)22-19-20-5-4-17(23-19)18-21-11-16(26-18)12-24(3)6-7-25;1-4-5-15-11-20-17(23-15)16-6-7-19-18(22-16)21-14-9-12(2)8-13(3)10-14;1-25-12-5-9(16(17,18)19)4-10(6-12)22-15-20-3-2-13(23-15)14-21-11(7-24)8-26-14/h5-6,8-11,17,27H,3-4,7,12-13H2,1-2H3,(H,22,24,25);4-5,8-11,25H,6-7,12H2,1-3H3,(H,20,22,23);6-11H,4-5H2,1-3H3,(H,19,21,22);2-6,8,24H,7H2,1H3,(H,20,22,23)/t17-;;;/m0.../s1
• InChIKey: SGPBJXLBPFIUPI-FCQHKQNSSA-N
• XLogP: 16.08
• TPSA: 279.20 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1471.85
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

The IUPAC name of 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol (CID 160829352) is 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol.

What is the SMILES notation for 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

The canonical SMILES for 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol is CCCc1cnc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)s1.COc1cc(Nc2nccc(-c3nc(CO)cs3)n2)cc(C(F)(F)F)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN(C)CCO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCC[C@H]4CO)s3)n2)c1.

What is the InChIKey of 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

The InChIKey is SGPBJXLBPFIUPI-FCQHKQNSSA-N. The full InChI is InChI=1S/C21H25N5OS.C19H23N5OS.C18H20N4S.C16H13F3N4O2S/c1-14-8-15(2)10-16(9-14)24-21-22-6-5-19(25-21)20-23-11-18(28-20)12-26-7-3-4-17(26)13-27;1-13-8-14(2)10-15(9-13)22-19-20-5-4-17(23-19)18-21-11-16(26-18)12-24(3)6-7-25;1-4-5-15-11-20-17(23-15)16-6-7-19-18(22-16)21-14-9-12(2)8-13(3)10-14;1-25-12-5-9(16(17,18)19)4-10(6-12)22-15-20-3-2-13(23-15)14-21-11(7-24)8-26-14/h5-6,8-11,17,27H,3-4,7,12-13H2,1-2H3,(H,22,24,25);4-5,8-11,25H,6-7,12H2,1-3H3,(H,20,22,23);6-11H,4-5H2,1-3H3,(H,19,21,22);2-6,8,24H,7H2,1H3,(H,20,22,23)/t17-;;;/m0.../s1.

What are the key properties of 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol?

2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol has a molecular weight of 1471.85 g/mol, XLogP of 16.08, 23 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl-methylamino]ethanol;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-(5-propyl-1,3-thiazol-2-yl)pyrimidin-2-amine;[2-[2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 160829352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).