4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H23N5O2 — CID 80862100

IUPAC4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-2-3-4-5-8-20-13-16-11(14)15-12(17-13)18-6-9-19-10-7-18/h2-10H2,1H3,(H2,14,15,16,17)
InChIKeyHDAIMWUPUXDYEU-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.25
Rot. Bonds7

About 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80862100) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80862100
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCCCCCCOc1nc(N)nc(N2CCOCC2)n1
InChIInChI=1S/C13H23N5O2/c1-2-3-4-5-8-20-13-16-11(14)15-12(17-13)18-6-9-19-10-7-18/h2-10H2,1H3,(H2,14,15,16,17)
InChIKeyHDAIMWUPUXDYEU-UHFFFAOYSA-N
XLogP1.25
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80862100) is 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine is CCCCCCOc1nc(N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is HDAIMWUPUXDYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-2-3-4-5-8-20-13-16-11(14)15-12(17-13)18-6-9-19-10-7-18/h2-10H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80862100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).