tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine

C59H68N12O2 — CID 162207392

About tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine

tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine (PubChem CID 162207392) has the molecular formula C59H68N12O2 and a molecular weight of 977.28 g/mol. Its IUPAC name is tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
• PubChem CID: 162207392
• Molecular Formula: C59H68N12O2
• Molecular Weight: 977.28 g/mol
• Exact Mass: 976.56
• IUPAC Name: tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine
• SMILES: Cc1ccc(-c2ncn(C3CCN(C(=O)OC(C)(C)C)CC3)c2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1.Cc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1
• InChI: InChI=1S/C32H38N6O2.C27H30N6/c1-21-7-9-24(10-8-21)28-29(27-11-14-33-30(36-27)35-25-18-22(2)17-23(3)19-25)38(20-34-28)26-12-15-37(16-13-26)31(39)40-32(4,5)6;1-18-4-6-21(7-5-18)25-26(33(17-30-25)23-8-11-28-12-9-23)24-10-13-29-27(32-24)31-22-15-19(2)14-20(3)16-22/h7-11,14,17-20,26H,12-13,15-16H2,1-6H3,(H,33,35,36);4-7,10,13-17,23,28H,8-9,11-12H2,1-3H3,(H,29,31,32)
• InChIKey: ZSJODLPFVNPFOS-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 152.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	977.28
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine?

The IUPAC name of tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine (CID 162207392) is tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine.

What is the SMILES notation for tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine?

The canonical SMILES for tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine is Cc1ccc(-c2ncn(C3CCN(C(=O)OC(C)(C)C)CC3)c2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1.Cc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3cc(C)cc(C)c3)n2)cc1.

What is the InChIKey of tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine?

The InChIKey is ZSJODLPFVNPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O2.C27H30N6/c1-21-7-9-24(10-8-21)28-29(27-11-14-33-30(36-27)35-25-18-22(2)17-23(3)19-25)38(20-34-28)26-12-15-37(16-13-26)31(39)40-32(4,5)6;1-18-4-6-21(7-5-18)25-26(33(17-30-25)23-8-11-28-12-9-23)24-10-13-29-27(32-24)31-22-15-19(2)14-20(3)16-22/h7-11,14,17-20,26H,12-13,15-16H2,1-6H3,(H,33,35,36);4-7,10,13-17,23,28H,8-9,11-12H2,1-3H3,(H,29,31,32).

What are the key properties of tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine?

tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine has a molecular weight of 977.28 g/mol, XLogP of 12.85, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-4-(4-methylphenyl)imidazol-1-yl]piperidine-1-carboxylate;N-(3,5-dimethylphenyl)-4-[5-(4-methylphenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 162207392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).