4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H21N5O — CID 80872640

IUPAC4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC/C=C/COc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-5-10-19-13-16-11(14-4-2)15-12(17-13)18-8-6-7-9-18/h3,5H,4,6-10H2,1-2H3,(H,14,15,16,17)/b5-3+
InChIKeyGLWHGFXEYSEVFZ-HWKANZROSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds6

About 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80872640) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80872640
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESC/C=C/COc1nc(NCC)nc(N2CCCC2)n1
InChIInChI=1S/C13H21N5O/c1-3-5-10-19-13-16-11(14-4-2)15-12(17-13)18-8-6-7-9-18/h3,5H,4,6-10H2,1-2H3,(H,14,15,16,17)/b5-3+
InChIKeyGLWHGFXEYSEVFZ-HWKANZROSA-N
XLogP1.86
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80872640) is 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is C/C=C/COc1nc(NCC)nc(N2CCCC2)n1.
What is the InChIKey of 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GLWHGFXEYSEVFZ-HWKANZROSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-5-10-19-13-16-11(14-4-2)15-12(17-13)18-8-6-7-9-18/h3,5H,4,6-10H2,1-2H3,(H,14,15,16,17)/b5-3+.
What are the key properties of 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-but-2-enoxy]-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).