4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H21N5O2 — CID 80860973

IUPAC4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21N5O2/c1-3-5-8-20-13-16-11(14-4-2)15-12(17-13)18-6-9-19-10-7-18/h3H,1,4-10H2,2H3,(H,14,15,16,17)
InChIKeyRLTQUUCTCITCQC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.09
Rot. Bonds7

About 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80860973) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80860973
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCC)nc(N2CCOCC2)n1
InChIInChI=1S/C13H21N5O2/c1-3-5-8-20-13-16-11(14-4-2)15-12(17-13)18-6-9-19-10-7-18/h3H,1,4-10H2,2H3,(H,14,15,16,17)
InChIKeyRLTQUUCTCITCQC-UHFFFAOYSA-N
XLogP1.09
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80860973) is 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is C=CCCOc1nc(NCC)nc(N2CCOCC2)n1.
What is the InChIKey of 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is RLTQUUCTCITCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-5-8-20-13-16-11(14-4-2)15-12(17-13)18-6-9-19-10-7-18/h3H,1,4-10H2,2H3,(H,14,15,16,17).
What are the key properties of 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80860973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).