4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride

C14H23ClN6O2 — CID 20994605

IUPAC4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride
SMILESC=CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C14H22N6O2.ClH/c1-2-3-15-12-16-13(19-4-8-21-9-5-19)18-14(17-12)20-6-10-22-11-7-20;/h2H,1,3-11H2,(H,15,16,17,18);1H
InChIKeyQPFLVXICHUCJAJ-UHFFFAOYSA-N
MW342.83 g/mol
LogP0.56
Rot. Bonds5

About 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride

4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride (PubChem CID 20994605) has the molecular formula C14H23ClN6O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride
PubChem CID20994605
Molecular FormulaC14H23ClN6O2
Molecular Weight342.83 g/mol
Exact Mass342.16
IUPAC Name4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride
SMILESC=CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C14H22N6O2.ClH/c1-2-3-15-12-16-13(19-4-8-21-9-5-19)18-14(17-12)20-6-10-22-11-7-20;/h2H,1,3-11H2,(H,15,16,17,18);1H
InChIKeyQPFLVXICHUCJAJ-UHFFFAOYSA-N
XLogP0.56
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride 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 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride?
The IUPAC name of 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride (CID 20994605) is 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride is C=CCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.Cl.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride?
The InChIKey is QPFLVXICHUCJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O2.ClH/c1-2-3-15-12-16-13(19-4-8-21-9-5-19)18-14(17-12)20-6-10-22-11-7-20;/h2H,1,3-11H2,(H,15,16,17,18);1H.
What are the key properties of 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride?
4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride is sourced from PubChem (CID 20994605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).