4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine

C9H14N4O2 — CID 80868539

IUPAC4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OCC)n1
InChIInChI=1S/C9H14N4O2/c1-4-6-15-9-12-7(10-3)11-8(13-9)14-5-2/h4H,1,5-6H2,2-3H3,(H,10,11,12,13)
InChIKeyCZXRAXZPCBUDDH-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.88
Rot. Bonds6

About 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80868539) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80868539
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NC)nc(OCC)n1
InChIInChI=1S/C9H14N4O2/c1-4-6-15-9-12-7(10-3)11-8(13-9)14-5-2/h4H,1,5-6H2,2-3H3,(H,10,11,12,13)
InChIKeyCZXRAXZPCBUDDH-UHFFFAOYSA-N
XLogP0.88
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-ethoxy-N-methyl-6-prop-2-enoxy-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-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80868539) is 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NC)nc(OCC)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is CZXRAXZPCBUDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-6-15-9-12-7(10-3)11-8(13-9)14-5-2/h4H,1,5-6H2,2-3H3,(H,10,11,12,13).
What are the key properties of 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 210.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).