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

C11H22N6O4 — CID 19596821

IUPAC2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N)nc(N(COC)COC)n1
InChIInChI=1S/C11H22N6O4/c1-18-5-16(6-19-2)10-13-9(12)14-11(15-10)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15)
InChIKeyGDXYMSLKTXSGBS-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.52
Rot. Bonds10

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

2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 19596821) has the molecular formula C11H22N6O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID19596821
Molecular FormulaC11H22N6O4
Molecular Weight302.33 g/mol
Exact Mass302.17
IUPAC Name2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N)nc(N(COC)COC)n1
InChIInChI=1S/C11H22N6O4/c1-18-5-16(6-19-2)10-13-9(12)14-11(15-10)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15)
InChIKeyGDXYMSLKTXSGBS-UHFFFAOYSA-N
XLogP-0.52
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 19596821) is 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is COCN(COC)c1nc(N)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GDXYMSLKTXSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O4/c1-18-5-16(6-19-2)10-13-9(12)14-11(15-10)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 302.33 g/mol, XLogP of -0.52, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19596821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).