4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

C85H105N21OS4 — CID 158373331

About 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 158373331) has the molecular formula C85H105N21OS4 and a molecular weight of 1565.19 g/mol. Its IUPAC name is 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 158373331
• Molecular Formula: C85H105N21OS4
• Molecular Weight: 1565.19 g/mol
• Exact Mass: 1563.77
• IUPAC Name: 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
• SMILES: CNCc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN(C)C4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCC[C@H]4CO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCNCC4)s3)n2)c1
• InChI: InChI=1S/C24H31N5S.C22H27N5OS.C21H26N6S.C18H21N5S/c1-16-12-17(2)14-19(13-16)27-24-25-11-10-21(28-24)23-26-18(3)22(30-23)15-29(4)20-8-6-5-7-9-20;1-14-9-15(2)11-17(10-14)25-22-23-7-6-19(26-22)21-24-16(3)20(29-21)12-27-8-4-5-18(27)13-28;1-14-10-15(2)12-17(11-14)25-21-23-5-4-18(26-21)20-24-16(3)19(28-20)13-27-8-6-22-7-9-27;1-11-7-12(2)9-14(8-11)22-18-20-6-5-15(23-18)17-21-13(3)16(24-17)10-19-4/h10-14,20H,5-9,15H2,1-4H3,(H,25,27,28);6-7,9-11,18,28H,4-5,8,12-13H2,1-3H3,(H,23,25,26);4-5,10-12,22H,6-9,13H2,1-3H3,(H,23,25,26);5-9,19H,10H2,1-4H3,(H,20,22,23)/t;18-;;/m.0../s1
• InChIKey: GUWSSNMNKYGGHQ-QQHZQADKSA-N
• XLogP: 17.92
• TPSA: 256.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1565.19
LogP ≤ 5	17.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 158373331) is 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is CNCc1sc(-c2ccnc(Nc3cc(C)cc(C)c3)n2)nc1C.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN(C)C4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCC[C@H]4CO)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCNCC4)s3)n2)c1.

What is the InChIKey of 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The InChIKey is GUWSSNMNKYGGHQ-QQHZQADKSA-N. The full InChI is InChI=1S/C24H31N5S.C22H27N5OS.C21H26N6S.C18H21N5S/c1-16-12-17(2)14-19(13-16)27-24-25-11-10-21(28-24)23-26-18(3)22(30-23)15-29(4)20-8-6-5-7-9-20;1-14-9-15(2)11-17(10-14)25-22-23-7-6-19(26-22)21-24-16(3)20(29-21)12-27-8-4-5-18(27)13-28;1-14-10-15(2)12-17(11-14)25-21-23-5-4-18(26-21)20-24-16(3)19(28-20)13-27-8-6-22-7-9-27;1-11-7-12(2)9-14(8-11)22-18-20-6-5-15(23-18)17-21-13(3)16(24-17)10-19-4/h10-14,20H,5-9,15H2,1-4H3,(H,25,27,28);6-7,9-11,18,28H,4-5,8,12-13H2,1-3H3,(H,23,25,26);4-5,10-12,22H,6-9,13H2,1-3H3,(H,23,25,26);5-9,19H,10H2,1-4H3,(H,20,22,23)/t;18-;;/m.0../s1.

What are the key properties of 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 1565.19 g/mol, XLogP of 17.92, 22 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[cyclohexyl(methyl)amino]methyl]-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;[(2S)-1-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-5-yl]methyl]pyrrolidin-2-yl]methanol;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 158373331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).