6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine

C21H44ClN5O6Si2 — CID 140675421

IUPAC6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCO[Si](CCCNc1nc(Cl)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C21H44ClN5O6Si2/c1-7-28-34(29-8-2,30-9-3)17-13-15-23-20-25-19(22)26-21(27-20)24-16-14-18-35(31-10-4,32-11-5)33-12-6/h7-18H2,1-6H3,(H2,23,24,25,26,27)
InChIKeyNARDEJGFHDQCKP-UHFFFAOYSA-N
MW554.24 g/mol
LogP4.23
Rot. Bonds22

About 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 140675421) has the molecular formula C21H44ClN5O6Si2 and a molecular weight of 554.24 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID140675421
Molecular FormulaC21H44ClN5O6Si2
Molecular Weight554.24 g/mol
Exact Mass553.25
IUPAC Name6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCO[Si](CCCNc1nc(Cl)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C21H44ClN5O6Si2/c1-7-28-34(29-8-2,30-9-3)17-13-15-23-20-25-19(22)26-21(27-20)24-16-14-18-35(31-10-4,32-11-5)33-12-6/h7-18H2,1-6H3,(H2,23,24,25,26,27)
InChIKeyNARDEJGFHDQCKP-UHFFFAOYSA-N
XLogP4.23
TPSA118.11 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine (CID 140675421) is 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine is CCO[Si](CCCNc1nc(Cl)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC.
What is the InChIKey of 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NARDEJGFHDQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44ClN5O6Si2/c1-7-28-34(29-8-2,30-9-3)17-13-15-23-20-25-19(22)26-21(27-20)24-16-14-18-35(31-10-4,32-11-5)33-12-6/h7-18H2,1-6H3,(H2,23,24,25,26,27).
What are the key properties of 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 554.24 g/mol, XLogP of 4.23, 22 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 140675421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).