2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine

C18H36N6O6 — CID 151176957

About 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 151176957) has the molecular formula C18H36N6O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 151176957
• Molecular Formula: C18H36N6O6
• Molecular Weight: 432.52 g/mol
• Exact Mass: 432.27
• IUPAC Name: 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine
• SMILES: COC(OC)(OC)C(CN(C)c1nc(N(C)C)nc(N(C)C)n1)C(OC)(OC)OC
• InChI: InChI=1S/C18H36N6O6/c1-22(2)14-19-15(23(3)4)21-16(20-14)24(5)12-13(17(25-6,26-7)27-8)18(28-9,29-10)30-11/h13H,12H2,1-11H3
• InChIKey: NDLTYDVLGNWILF-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 103.77 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.52
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine (CID 151176957) is 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine is COC(OC)(OC)C(CN(C)c1nc(N(C)C)nc(N(C)C)n1)C(OC)(OC)OC.

What is the InChIKey of 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine?

The InChIKey is NDLTYDVLGNWILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O6/c1-22(2)14-19-15(23(3)4)21-16(20-14)24(5)12-13(17(25-6,26-7)27-8)18(28-9,29-10)30-11/h13H,12H2,1-11H3.

What are the key properties of 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine?

2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 432.52 g/mol, XLogP of 0.24, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,4-N,6-N,6-N-pentamethyl-2-N-[3,3,3-trimethoxy-2-(trimethoxymethyl)propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 151176957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).