6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine

C11H20ClN5O2 — CID 58479544

IUPAC6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOCCOCCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C11H20ClN5O2/c1-3-5-18-7-8-19-6-4-14-11-16-9(12)15-10(13-2)17-11/h3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyONPPTKFWMJQWMD-UHFFFAOYSA-N
MW289.77 g/mol
LogP1.42
Rot. Bonds10

About 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 58479544) has the molecular formula C11H20ClN5O2 and a molecular weight of 289.77 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID58479544
Molecular FormulaC11H20ClN5O2
Molecular Weight289.77 g/mol
Exact Mass289.13
IUPAC Name6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCCCOCCOCCNc1nc(Cl)nc(NC)n1
InChIInChI=1S/C11H20ClN5O2/c1-3-5-18-7-8-19-6-4-14-11-16-9(12)15-10(13-2)17-11/h3-8H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyONPPTKFWMJQWMD-UHFFFAOYSA-N
XLogP1.42
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-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-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 58479544) is 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine is CCCOCCOCCNc1nc(Cl)nc(NC)n1.
What is the InChIKey of 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ONPPTKFWMJQWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O2/c1-3-5-18-7-8-19-6-4-14-11-16-9(12)15-10(13-2)17-11/h3-8H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 289.77 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58479544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).