4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

C83H101N21OS4 — CID 160938856

About 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 160938856) has the molecular formula C83H101N21OS4 and a molecular weight of 1537.13 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
• PubChem CID: 160938856
• Molecular Formula: C83H101N21OS4
• Molecular Weight: 1537.13 g/mol
• Exact Mass: 1535.74
• IUPAC Name: 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
• SMILES: Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNCCN4CCOCC4)s3)n2)c1
• InChI: InChI=1S/C23H30N6OS.C22H27N5S.C21H25N5S.C17H19N5S/c1-16-12-17(2)14-19(13-16)27-23-25-5-4-20(28-23)22-26-18(3)21(31-22)15-24-6-7-29-8-10-30-11-9-29;1-15-11-16(2)13-18(12-15)25-22-23-8-7-19(26-22)21-24-17(3)20(28-21)14-27-9-5-4-6-10-27;1-14-10-15(2)12-17(11-14)24-21-22-7-6-18(25-21)20-23-16(3)19(27-20)13-26-8-4-5-9-26;1-10-6-11(2)8-13(7-10)21-17-19-5-4-14(22-17)16-20-12(3)15(9-18)23-16/h4-5,12-14,24H,6-11,15H2,1-3H3,(H,25,27,28);7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,23,25,26);6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,22,24,25);4-8H,9,18H2,1-3H3,(H,19,21,22)
• InChIKey: SUFUUWFFXNIPOD-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 259.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1537.13
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The IUPAC name of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 160938856) is 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

What is the SMILES notation for 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The canonical SMILES for 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CN4CCCCC4)s3)n2)c1.Cc1cc(C)cc(Nc2nccc(-c3nc(C)c(CNCCN4CCOCC4)s3)n2)c1.

What is the InChIKey of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

The InChIKey is SUFUUWFFXNIPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS.C22H27N5S.C21H25N5S.C17H19N5S/c1-16-12-17(2)14-19(13-16)27-23-25-5-4-20(28-23)22-26-18(3)21(31-22)15-24-6-7-29-8-10-30-11-9-29;1-15-11-16(2)13-18(12-15)25-22-23-8-7-19(26-22)21-24-17(3)20(28-21)14-27-9-5-4-6-10-27;1-14-10-15(2)12-17(11-14)24-21-22-7-6-18(25-21)20-23-16(3)19(27-20)13-26-8-4-5-9-26;1-10-6-11(2)8-13(7-10)21-17-19-5-4-14(22-17)16-20-12(3)15(9-18)23-16/h4-5,12-14,24H,6-11,15H2,1-3H3,(H,25,27,28);7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,23,25,26);6-7,10-12H,4-5,8-9,13H2,1-3H3,(H,22,24,25);4-8H,9,18H2,1-3H3,(H,19,21,22).

What are the key properties of 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?

4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 1537.13 g/mol, XLogP of 17.54, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-[(2-morpholin-4-ylethylamino)methyl]-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine;N-(3,5-dimethylphenyl)-4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 160938856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).