2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

C21H48N6O9Si3 — CID 66864749

IUPAC2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCO[Si](CCCNc1nc(N)nc(N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)n1)(OC)OC
InChIInChI=1S/C21H48N6O9Si3/c1-28-37(29-2,30-3)16-10-13-23-20-24-19(22)25-21(26-20)27(14-11-17-38(31-4,32-5)33-6)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3,(H3,22,23,24,25,26)
InChIKeyNBWPXIQSHRRLST-UHFFFAOYSA-N
MW612.91 g/mol
LogP1.48
Rot. Bonds23

About 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 66864749) has the molecular formula C21H48N6O9Si3 and a molecular weight of 612.91 g/mol. Its IUPAC name is 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID66864749
Molecular FormulaC21H48N6O9Si3
Molecular Weight612.91 g/mol
Exact Mass612.28
IUPAC Name2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCO[Si](CCCNc1nc(N)nc(N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)n1)(OC)OC
InChIInChI=1S/C21H48N6O9Si3/c1-28-37(29-2,30-3)16-10-13-23-20-24-19(22)25-21(26-20)27(14-11-17-38(31-4,32-5)33-6)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3,(H3,22,23,24,25,26)
InChIKeyNBWPXIQSHRRLST-UHFFFAOYSA-N
XLogP1.48
TPSA163.03 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.91
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

n2,n4,n6-Tris(3-(triethoxysilyl)propyl)-1,3,5-triazine-2,4,6-triamine
CID 102416558
2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 176847545
2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 176847592
CID 134952008
CID 134952008
2-N-[3-[[3-[(4,6-diamino-1,3,5-triazin-2-yl)amino]propyl-dimethoxysilyl]oxy-methoxy-methylsilyl]propyl]-1,3,5-triazine-2,4,6-triamine
CID 59760634
2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66863912
2-N,2-N-bis(3-trimethoxysilylheptan-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 66864781
2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66864782
6-azido-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
CID 89677720
6-azido-2-N,4-N-bis[3-tri(propan-2-yloxy)silylpropyl]-1,3,5-triazine-2,4-diamine
CID 89677742
2-N-(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 121008101
2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 123224676

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 66864749) is 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CO[Si](CCCNc1nc(N)nc(N(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)n1)(OC)OC.
What is the InChIKey of 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NBWPXIQSHRRLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H48N6O9Si3/c1-28-37(29-2,30-3)16-10-13-23-20-24-19(22)25-21(26-20)27(14-11-17-38(31-4,32-5)33-6)15-12-18-39(34-7,35-8)36-9/h10-18H2,1-9H3,(H3,22,23,24,25,26).
What are the key properties of 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 612.91 g/mol, XLogP of 1.48, 23 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66864749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).