6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C80H142Cl2N14O4 — CID 19090207

About 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19090207) has the molecular formula C80H142Cl2N14O4 and a molecular weight of 1435.02 g/mol. Its IUPAC name is 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 19090207
• Molecular Formula: C80H142Cl2N14O4
• Molecular Weight: 1435.02 g/mol
• Exact Mass: 1433.07
• IUPAC Name: 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
• SMILES: CCCC(Nc1nc(Cl)nc(N(CCCCCCN(c2nc(Cl)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1
• InChI: InChI=1S/C80H142Cl2N14O4/c1-19-37-65(57-49-73(3,4)93(74(5,6)50-57)97-61-39-27-23-28-40-61)83-69-85-67(81)87-71(89-69)91(59-53-77(11,12)95(78(13,14)54-59)99-63-43-31-25-32-44-63)47-35-21-22-36-48-92(60-55-79(15,16)96(80(17,18)56-60)100-64-45-33-26-34-46-64)72-88-68(82)86-70(90-72)84-66(38-20-2)58-51-75(7,8)94(76(9,10)52-58)98-62-41-29-24-30-42-62/h57-66H,19-56H2,1-18H3,(H,83,85,87,89)(H,84,86,88,90)
• InChIKey: AJCPSTWNUQQXAY-UHFFFAOYSA-N
• XLogP: 20.04
• TPSA: 157.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.02
LogP ≤ 5	20.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19090207) is 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CCCC(Nc1nc(Cl)nc(N(CCCCCCN(c2nc(Cl)nc(NC(CCC)C3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)C2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)n1)C1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.

What is the InChIKey of 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is AJCPSTWNUQQXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H142Cl2N14O4/c1-19-37-65(57-49-73(3,4)93(74(5,6)50-57)97-61-39-27-23-28-40-61)83-69-85-67(81)87-71(89-69)91(59-53-77(11,12)95(78(13,14)54-59)99-63-43-31-25-32-44-63)47-35-21-22-36-48-92(60-55-79(15,16)96(80(17,18)56-60)100-64-45-33-26-34-46-64)72-88-68(82)86-70(90-72)84-66(38-20-2)58-51-75(7,8)94(76(9,10)52-58)98-62-41-29-24-30-42-62/h57-66H,19-56H2,1-18H3,(H,83,85,87,89)(H,84,86,88,90).

What are the key properties of 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?

6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1435.02 g/mol, XLogP of 20.04, 29 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N-[6-[[4-chloro-6-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-N-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-4-N-[1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).