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

C35H64ClN9O2 — CID 19736766

About 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-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-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 19736766) has the molecular formula C35H64ClN9O2 and a molecular weight of 678.41 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-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-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 19736766
• Molecular Formula: C35H64ClN9O2
• Molecular Weight: 678.41 g/mol
• Exact Mass: 677.49
• IUPAC Name: 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC1(C)CC(N(CCCN2CCOCC2)c2nc(Cl)nc(N(CCCN3CCOCC3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1
• InChI: InChI=1S/C35H64ClN9O2/c1-32(2)23-27(24-33(3,4)40-32)44(13-9-11-42-15-19-46-20-16-42)30-37-29(36)38-31(39-30)45(14-10-12-43-17-21-47-22-18-43)28-25-34(5,6)41-35(7,8)26-28/h27-28,40-41H,9-26H2,1-8H3
• InChIKey: QRBUGKQWNNOCAJ-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 94.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	678.41
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-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-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 19736766) is 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-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-morpholin-4-ylpropyl)-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-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(N(CCCN2CCOCC2)c2nc(Cl)nc(N(CCCN3CCOCC3)C3CC(C)(C)NC(C)(C)C3)n2)CC(C)(C)N1.

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

The InChIKey is QRBUGKQWNNOCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64ClN9O2/c1-32(2)23-27(24-33(3,4)40-32)44(13-9-11-42-15-19-46-20-16-42)30-37-29(36)38-31(39-30)45(14-10-12-43-17-21-47-22-18-43)28-25-34(5,6)41-35(7,8)26-28/h27-28,40-41H,9-26H2,1-8H3.

What are the key properties of 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-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-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 678.41 g/mol, XLogP of 4.20, 12 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-N,4-N-bis(3-morpholin-4-ylpropyl)-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19736766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).