2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine

C30H70FN5O9Si6 — CID 176847592

IUPAC2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCO[Si](CCC[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
InChIInChI=1S/C30H70FN5O9Si6/c1-37-50(38-2,39-3)25-17-23-48(11,12)44-46(7,8)21-15-19-32-28-34-29(36-30(35-28)43-27-31)33-20-16-22-47(9,10)45-49(13,14)24-18-26-51(40-4,41-5)42-6/h15-27H2,1-14H3,(H2,32,33,34,35,36)
InChIKeyOWKSHUVYBFPEKA-UHFFFAOYSA-N
MW832.43 g/mol
LogP7.17
Rot. Bonds30

About 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 176847592) has the molecular formula C30H70FN5O9Si6 and a molecular weight of 832.43 g/mol. Its IUPAC name is 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID176847592
Molecular FormulaC30H70FN5O9Si6
Molecular Weight832.43 g/mol
Exact Mass831.38
IUPAC Name2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCO[Si](CCC[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
InChIInChI=1S/C30H70FN5O9Si6/c1-37-50(38-2,39-3)25-17-23-48(11,12)44-46(7,8)21-15-19-32-28-34-29(36-30(35-28)43-27-31)33-20-16-22-47(9,10)45-49(13,14)24-18-26-51(40-4,41-5)42-6/h15-27H2,1-14H3,(H2,32,33,34,35,36)
InChIKeyOWKSHUVYBFPEKA-UHFFFAOYSA-N
XLogP7.17
TPSA145.80 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds30
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.43
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

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(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 176847615
2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 177125352
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,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66864749
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
2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 123224676
2-N-(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 140286166

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 176847592) is 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is CO[Si](CCC[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC.
What is the InChIKey of 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is OWKSHUVYBFPEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H70FN5O9Si6/c1-37-50(38-2,39-3)25-17-23-48(11,12)44-46(7,8)21-15-19-32-28-34-29(36-30(35-28)43-27-31)33-20-16-22-47(9,10)45-49(13,14)24-18-26-51(40-4,41-5)42-6/h15-27H2,1-14H3,(H2,32,33,34,35,36).
What are the key properties of 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 832.43 g/mol, XLogP of 7.17, 30 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176847592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).