2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate

C14H23N5O3 — CID 3080158

IUPAC2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
SMILESCCCc1nc(NCCOC(C)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O3/c1-3-4-12-16-13(15-5-8-22-11(2)20)18-14(17-12)19-6-9-21-10-7-19/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyXMDTZDPCFMRIRT-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.64
Rot. Bonds7

About 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate

2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate (PubChem CID 3080158) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
PubChem CID3080158
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate
SMILESCCCc1nc(NCCOC(C)=O)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O3/c1-3-4-12-16-13(15-5-8-22-11(2)20)18-14(17-12)19-6-9-21-10-7-19/h3-10H2,1-2H3,(H,15,16,17,18)
InChIKeyXMDTZDPCFMRIRT-UHFFFAOYSA-N
XLogP0.64
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate 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 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
The IUPAC name of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate (CID 3080158) is 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
The canonical SMILES for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate is CCCc1nc(NCCOC(C)=O)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
The InChIKey is XMDTZDPCFMRIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c1-3-4-12-16-13(15-5-8-22-11(2)20)18-14(17-12)19-6-9-21-10-7-19/h3-10H2,1-2H3,(H,15,16,17,18).
What are the key properties of 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate?
2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate has a molecular weight of 309.37 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)amino]ethyl acetate is sourced from PubChem (CID 3080158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).