[[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate

C14H30N6O6 — CID 161263842

About [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate

[[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate (PubChem CID 161263842) has the molecular formula C14H30N6O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate.

Molecular Properties

• Compound Name: [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate
• PubChem CID: 161263842
• Molecular Formula: C14H30N6O6
• Molecular Weight: 378.43 g/mol
• Exact Mass: 378.22
• IUPAC Name: [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate
• SMILES: CCN(COC)c1nc(N(CO)COC)nc(N(COC)COC)n1.O
• InChI: InChI=1S/C14H28N6O5.H2O/c1-6-18(8-22-2)12-15-13(19(7-21)9-23-3)17-14(16-12)20(10-24-4)11-25-5;/h21H,6-11H2,1-5H3;1H2
• InChIKey: DXODILHHCPNLMH-UHFFFAOYSA-N
• XLogP: -1.15
• TPSA: 137.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.43
LogP ≤ 5	-1.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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 [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate?

The IUPAC name of [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate (CID 161263842) is [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate.

What is the SMILES notation for [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate?

The canonical SMILES for [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate is CCN(COC)c1nc(N(CO)COC)nc(N(COC)COC)n1.O.

What is the InChIKey of [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate?

The InChIKey is DXODILHHCPNLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O5.H2O/c1-6-18(8-22-2)12-15-13(19(7-21)9-23-3)17-14(16-12)20(10-24-4)11-25-5;/h21H,6-11H2,1-5H3;1H2.

What are the key properties of [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate?

[[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate has a molecular weight of 378.43 g/mol, XLogP of -1.15, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [[4-[bis(methoxymethyl)amino]-6-[ethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]methanol;hydrate is sourced from PubChem (CID 161263842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).