2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C16H32N6O6 — CID 20822528

IUPAC2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCOCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C16H32N6O6/c1-7-28-13-22(12-27-6)16-18-14(20(8-23-2)9-24-3)17-15(19-16)21(10-25-4)11-26-5/h7-13H2,1-6H3
InChIKeyOSGNFZZNSQEHJS-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.30
Rot. Bonds16

About 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 20822528) has the molecular formula C16H32N6O6 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID20822528
Molecular FormulaC16H32N6O6
Molecular Weight404.47 g/mol
Exact Mass404.24
IUPAC Name2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCOCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1
InChIInChI=1S/C16H32N6O6/c1-7-28-13-22(12-27-6)16-18-14(20(8-23-2)9-24-3)17-15(19-16)21(10-25-4)11-26-5/h7-13H2,1-6H3
InChIKeyOSGNFZZNSQEHJS-UHFFFAOYSA-N
XLogP0.30
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 20822528) is 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCOCN(COC)c1nc(N(COC)COC)nc(N(COC)COC)n1.
What is the InChIKey of 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OSGNFZZNSQEHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N6O6/c1-7-28-13-22(12-27-6)16-18-14(20(8-23-2)9-24-3)17-15(19-16)21(10-25-4)11-26-5/h7-13H2,1-6H3.
What are the key properties of 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 404.47 g/mol, XLogP of 0.30, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(ethoxymethyl)-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 20822528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).