2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine

C27H54N6O6 — CID 22345050

IUPAC2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)(C)ON(OC(C)(C)C)c1nc(N(OC(C)(C)C)OC(C)(C)C)nc(N(OC(C)(C)C)OC(C)(C)C)n1
InChIInChI=1S/C27H54N6O6/c1-22(2,3)34-31(35-23(4,5)6)19-28-20(32(36-24(7,8)9)37-25(10,11)12)30-21(29-19)33(38-26(13,14)15)39-27(16,17)18/h1-18H3
InChIKeyYPMCKJQRHISZEY-UHFFFAOYSA-N
MW558.77 g/mol
LogP6.67
Rot. Bonds9

About 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine (PubChem CID 22345050) has the molecular formula C27H54N6O6 and a molecular weight of 558.77 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine
PubChem CID22345050
Molecular FormulaC27H54N6O6
Molecular Weight558.77 g/mol
Exact Mass558.41
IUPAC Name2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)(C)ON(OC(C)(C)C)c1nc(N(OC(C)(C)C)OC(C)(C)C)nc(N(OC(C)(C)C)OC(C)(C)C)n1
InChIInChI=1S/C27H54N6O6/c1-22(2,3)34-31(35-23(4,5)6)19-28-20(32(36-24(7,8)9)37-25(10,11)12)30-21(29-19)33(38-26(13,14)15)39-27(16,17)18/h1-18H3
InChIKeyYPMCKJQRHISZEY-UHFFFAOYSA-N
XLogP6.67
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500558.77
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Tris(tert-butylperoxy)-1,3,5-triazine
CID 2734923
2-N,2-N,4-N,4-N,6-N-pentabutoxy-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695054
2-N,2-N,4-N,4-N,6-N,6-N-hexabutoxy-1,3,5-triazine-2,4,6-triamine
CID 22138288
2,4,6-Tris(2-methylbutan-2-ylperoxy)-1,3,5-triazine
CID 87649452

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine (CID 22345050) is 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine is CC(C)(C)ON(OC(C)(C)C)c1nc(N(OC(C)(C)C)OC(C)(C)C)nc(N(OC(C)(C)C)OC(C)(C)C)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YPMCKJQRHISZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N6O6/c1-22(2,3)34-31(35-23(4,5)6)19-28-20(32(36-24(7,8)9)37-25(10,11)12)30-21(29-19)33(38-26(13,14)15)39-27(16,17)18/h1-18H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 558.77 g/mol, XLogP of 6.67, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N,6-N-hexakis[(2-methylpropan-2-yl)oxy]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 22345050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).