4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

C13H26N6O — CID 114944712

IUPAC4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(C)(C)OCC)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-7-14-10-16-11(18-12(17-10)19(5)6)15-9-13(3,4)20-8-2/h7-9H2,1-6H3,(H2,14,15,16,17,18)
InChIKeySSEUYSZWUSJSTH-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.60
Rot. Bonds8

About 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine

4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 114944712) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID114944712
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCNc1nc(NCC(C)(C)OCC)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-7-14-10-16-11(18-12(17-10)19(5)6)15-9-13(3,4)20-8-2/h7-9H2,1-6H3,(H2,14,15,16,17,18)
InChIKeySSEUYSZWUSJSTH-UHFFFAOYSA-N
XLogP1.60
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine 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-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 114944712) is 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CCNc1nc(NCC(C)(C)OCC)nc(N(C)C)n1.
What is the InChIKey of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SSEUYSZWUSJSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-7-14-10-16-11(18-12(17-10)19(5)6)15-9-13(3,4)20-8-2/h7-9H2,1-6H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 282.39 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 114944712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).