6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine

C9H16ClN5O — CID 618604

IUPAC6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-14(2)7-11-8(15(3)4)13-9(12-7)16-6-5-10/h5-6H2,1-4H3
InChIKeyMAWXNBTYRNXVGI-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.62
Rot. Bonds5

About 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine

6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine (PubChem CID 618604) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
PubChem CID618604
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(OCCCl)nc(N(C)C)n1
InChIInChI=1S/C9H16ClN5O/c1-14(2)7-11-8(15(3)4)13-9(12-7)16-6-5-10/h5-6H2,1-4H3
InChIKeyMAWXNBTYRNXVGI-UHFFFAOYSA-N
XLogP0.62
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine 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 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine (CID 618604) is 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(OCCCl)nc(N(C)C)n1.
What is the InChIKey of 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MAWXNBTYRNXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5O/c1-14(2)7-11-8(15(3)4)13-9(12-7)16-6-5-10/h5-6H2,1-4H3.
What are the key properties of 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 245.71 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloroethoxy)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 618604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).