6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C14H22N6O — CID 56636786

IUPAC6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CC(OCC)C2)n1
InChIInChI=1S/C14H22N6O/c1-4-7-15-12-17-13(16-8-5-2)19-14(18-12)20-9-11(10-20)21-6-3/h4-5,11H,1-2,6-10H2,3H3,(H2,15,16,17,18,19)
InChIKeyYNTBHJHYQMZWMS-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.29
Rot. Bonds9

About 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56636786) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56636786
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CC(OCC)C2)n1
InChIInChI=1S/C14H22N6O/c1-4-7-15-12-17-13(16-8-5-2)19-14(18-12)20-9-11(10-20)21-6-3/h4-5,11H,1-2,6-10H2,3H3,(H2,15,16,17,18,19)
InChIKeyYNTBHJHYQMZWMS-UHFFFAOYSA-N
XLogP1.29
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-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-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56636786) is 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CC(OCC)C2)n1.
What is the InChIKey of 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YNTBHJHYQMZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-4-7-15-12-17-13(16-8-5-2)19-14(18-12)20-9-11(10-20)21-6-3/h4-5,11H,1-2,6-10H2,3H3,(H2,15,16,17,18,19).
What are the key properties of 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 290.37 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56636786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).