4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

C21H42Cl2N4O6Si2 — CID 123341827

IUPAC4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1nc(Cl)nc(Cl)n1)(OCC)OCC
InChIInChI=1S/C21H42Cl2N4O6Si2/c1-7-28-34(29-8-2,30-9-3)17-13-15-27(21-25-19(22)24-20(23)26-21)16-14-18-35(31-10-4,32-11-5)33-12-6/h7-18H2,1-6H3
InChIKeyJRVDVSBFUWNQBK-UHFFFAOYSA-N
MW573.67 g/mol
LogP4.86
Rot. Bonds21

About 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (PubChem CID 123341827) has the molecular formula C21H42Cl2N4O6Si2 and a molecular weight of 573.67 g/mol. Its IUPAC name is 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
PubChem CID123341827
Molecular FormulaC21H42Cl2N4O6Si2
Molecular Weight573.67 g/mol
Exact Mass572.20
IUPAC Name4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1nc(Cl)nc(Cl)n1)(OCC)OCC
InChIInChI=1S/C21H42Cl2N4O6Si2/c1-7-28-34(29-8-2,30-9-3)17-13-15-27(21-25-19(22)24-20(23)26-21)16-14-18-35(31-10-4,32-11-5)33-12-6/h7-18H2,1-6H3
InChIKeyJRVDVSBFUWNQBK-UHFFFAOYSA-N
XLogP4.86
TPSA97.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.67
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (CID 123341827) is 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is CCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1nc(Cl)nc(Cl)n1)(OCC)OCC.
What is the InChIKey of 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is JRVDVSBFUWNQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42Cl2N4O6Si2/c1-7-28-34(29-8-2,30-9-3)17-13-15-27(21-25-19(22)24-20(23)26-21)16-14-18-35(31-10-4,32-11-5)33-12-6/h7-18H2,1-6H3.
What are the key properties of 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 573.67 g/mol, XLogP of 4.86, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 123341827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).