4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

C17H22N6O2 — CID 749680

IUPAC4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h1-5H,6-13H2,(H,18,19,20,21)
InChIKeyMKAUGKLCEXBZIA-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.29
Rot. Bonds4

About 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (PubChem CID 749680) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
PubChem CID749680
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
SMILESc1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H22N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h1-5H,6-13H2,(H,18,19,20,21)
InChIKeyMKAUGKLCEXBZIA-UHFFFAOYSA-N
XLogP1.29
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4,6-dimorpholin-4-yl-N-phenyl-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 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine (CID 749680) is 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine is c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
The InChIKey is MKAUGKLCEXBZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-4-14(5-3-1)18-15-19-16(22-6-10-24-11-7-22)21-17(20-15)23-8-12-25-13-9-23/h1-5H,6-13H2,(H,18,19,20,21).
What are the key properties of 4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine has a molecular weight of 342.40 g/mol, XLogP of 1.29, 4 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-phenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 749680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).