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

C14H23N5O2 — CID 80844458

IUPAC4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O2/c1-3-5-9-21-14-17-12(15-6-4-2)16-13(18-14)19-7-10-20-11-8-19/h3H,1,4-11H2,2H3,(H,15,16,17,18)
InChIKeyLPVSXBBREKGOQH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.49
Rot. Bonds8

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

4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80844458) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
PubChem CID80844458
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C14H23N5O2/c1-3-5-9-21-14-17-12(15-6-4-2)16-13(18-14)19-7-10-20-11-8-19/h3H,1,4-11H2,2H3,(H,15,16,17,18)
InChIKeyLPVSXBBREKGOQH-UHFFFAOYSA-N
XLogP1.49
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.49
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-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine (CID 80844458) is 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine is C=CCCOc1nc(NCCC)nc(N2CCOCC2)n1.
What is the InChIKey of 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is LPVSXBBREKGOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-5-9-21-14-17-12(15-6-4-2)16-13(18-14)19-7-10-20-11-8-19/h3H,1,4-11H2,2H3,(H,15,16,17,18).
What are the key properties of 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine?
4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-6-morpholin-4-yl-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80844458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).