6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

C15H28ClN5O4 — CID 58479546

IUPAC6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCOCCOCC(C)Nc1nc(Cl)nc(NC(C)COCCOC)n1
InChIInChI=1S/C15H28ClN5O4/c1-11(9-24-7-5-22-3)17-14-19-13(16)20-15(21-14)18-12(2)10-25-8-6-23-4/h11-12H,5-10H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyDJVDEORETBOVKY-UHFFFAOYSA-N
MW377.87 g/mol
LogP1.45
Rot. Bonds14

About 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 58479546) has the molecular formula C15H28ClN5O4 and a molecular weight of 377.87 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID58479546
Molecular FormulaC15H28ClN5O4
Molecular Weight377.87 g/mol
Exact Mass377.18
IUPAC Name6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCOCCOCC(C)Nc1nc(Cl)nc(NC(C)COCCOC)n1
InChIInChI=1S/C15H28ClN5O4/c1-11(9-24-7-5-22-3)17-14-19-13(16)20-15(21-14)18-12(2)10-25-8-6-23-4/h11-12H,5-10H2,1-4H3,(H2,17,18,19,20,21)
InChIKeyDJVDEORETBOVKY-UHFFFAOYSA-N
XLogP1.45
TPSA99.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-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-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 58479546) is 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is COCCOCC(C)Nc1nc(Cl)nc(NC(C)COCCOC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is DJVDEORETBOVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5O4/c1-11(9-24-7-5-22-3)17-14-19-13(16)20-15(21-14)18-12(2)10-25-8-6-23-4/h11-12H,5-10H2,1-4H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 377.87 g/mol, XLogP of 1.45, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58479546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).