6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine

C28H50N10O4 — CID 54545571

About 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine

6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 54545571) has the molecular formula C28H50N10O4 and a molecular weight of 590.77 g/mol. Its IUPAC name is 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 54545571
• Molecular Formula: C28H50N10O4
• Molecular Weight: 590.77 g/mol
• Exact Mass: 590.40
• IUPAC Name: 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
• SMILES: CCOCCNc1nc(NCCOCC)nc(C2CCCCC2c2nc(NCCOCC)nc(NCCOCC)n2)n1
• InChI: InChI=1S/C28H50N10O4/c1-5-39-17-13-29-25-33-23(34-26(37-25)30-14-18-40-6-2)21-11-9-10-12-22(21)24-35-27(31-15-19-41-7-3)38-28(36-24)32-16-20-42-8-4/h21-22H,5-20H2,1-4H3,(H2,29,30,33,34,37)(H2,31,32,35,36,38)
• InChIKey: ZGHUDICZPADHMV-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 162.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.77
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine (CID 54545571) is 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine is CCOCCNc1nc(NCCOCC)nc(C2CCCCC2c2nc(NCCOCC)nc(NCCOCC)n2)n1.

What is the InChIKey of 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?

The InChIKey is ZGHUDICZPADHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50N10O4/c1-5-39-17-13-29-25-33-23(34-26(37-25)30-14-18-40-6-2)21-11-9-10-12-22(21)24-35-27(31-15-19-41-7-3)38-28(36-24)32-16-20-42-8-4/h21-22H,5-20H2,1-4H3,(H2,29,30,33,34,37)(H2,31,32,35,36,38).

What are the key properties of 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?

6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 590.77 g/mol, XLogP of 3.29, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54545571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).