2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine

C17H34N6O6 — CID 54349130

IUPAC2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)N(c1nc(N(C)C)nc(N(C)C)n1)C(OC)(OC)C(OC)(OC)OC
InChIInChI=1S/C17H34N6O6/c1-12(24-6)23(16(25-7,26-8)17(27-9,28-10)29-11)15-19-13(21(2)3)18-14(20-15)22(4)5/h12H,1-11H3
InChIKeyUELHDZARXBTOTG-UHFFFAOYSA-N
MW418.50 g/mol
LogP0.34
Rot. Bonds12

About 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine

2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 54349130) has the molecular formula C17H34N6O6 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID54349130
Molecular FormulaC17H34N6O6
Molecular Weight418.50 g/mol
Exact Mass418.25
IUPAC Name2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)N(c1nc(N(C)C)nc(N(C)C)n1)C(OC)(OC)C(OC)(OC)OC
InChIInChI=1S/C17H34N6O6/c1-12(24-6)23(16(25-7,26-8)17(27-9,28-10)29-11)15-19-13(21(2)3)18-14(20-15)22(4)5/h12H,1-11H3
InChIKeyUELHDZARXBTOTG-UHFFFAOYSA-N
XLogP0.34
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 50.34
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-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 54349130) is 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine is COC(C)N(c1nc(N(C)C)nc(N(C)C)n1)C(OC)(OC)C(OC)(OC)OC.
What is the InChIKey of 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UELHDZARXBTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6O6/c1-12(24-6)23(16(25-7,26-8)17(27-9,28-10)29-11)15-19-13(21(2)3)18-14(20-15)22(4)5/h12H,1-11H3.
What are the key properties of 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 418.50 g/mol, XLogP of 0.34, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxyethyl)-4-N,4-N,6-N,6-N-tetramethyl-2-N-(1,1,2,2,2-pentamethoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 54349130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).