6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C29H54ClN7O2 — CID 11970672

About 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 11970672) has the molecular formula C29H54ClN7O2 and a molecular weight of 568.25 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 11970672
• Molecular Formula: C29H54ClN7O2
• Molecular Weight: 568.25 g/mol
• Exact Mass: 567.40
• IUPAC Name: 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
• SMILES: COCCCN(c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1
• InChI: InChI=1S/C29H54ClN7O2/c1-26(2)17-21(18-27(3,4)34-26)36(13-11-15-38-9)24-31-23(30)32-25(33-24)37(14-12-16-39-10)22-19-28(5,6)35-29(7,8)20-22/h21-22,34-35H,11-20H2,1-10H3
• InChIKey: YZIARINZNCQJKR-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 87.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.25
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 11970672) is 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is COCCCN(c1nc(Cl)nc(N(CCCOC)C2CC(C)(C)NC(C)(C)C2)n1)C1CC(C)(C)NC(C)(C)C1.

What is the InChIKey of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is YZIARINZNCQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54ClN7O2/c1-26(2)17-21(18-27(3,4)34-26)36(13-11-15-38-9)24-31-23(30)32-25(33-24)37(14-12-16-39-10)22-19-28(5,6)35-29(7,8)20-22/h21-22,34-35H,11-20H2,1-10H3.

What are the key properties of 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?

6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 568.25 g/mol, XLogP of 4.83, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N,4-N-bis(3-methoxypropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 11970672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).