4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline

C18H23N5O3 — CID 67021802

IUPAC4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(OC3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c19-14-3-1-13(2-4-14)16-20-17(23-7-11-25-12-8-23)22-18(21-16)26-15-5-9-24-10-6-15/h1-4,15H,5-12,19H2
InChIKeyUIXLJEMSFJURML-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.52
Rot. Bonds4

About 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline

4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline (PubChem CID 67021802) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline
PubChem CID67021802
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline
SMILESNc1ccc(-c2nc(OC3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H23N5O3/c19-14-3-1-13(2-4-14)16-20-17(23-7-11-25-12-8-23)22-18(21-16)26-15-5-9-24-10-6-15/h1-4,15H,5-12,19H2
InChIKeyUIXLJEMSFJURML-UHFFFAOYSA-N
XLogP1.52
TPSA95.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline (CID 67021802) is 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline is Nc1ccc(-c2nc(OC3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline?
The InChIKey is UIXLJEMSFJURML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-14-3-1-13(2-4-14)16-20-17(23-7-11-25-12-8-23)22-18(21-16)26-15-5-9-24-10-6-15/h1-4,15H,5-12,19H2.
What are the key properties of 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline?
4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline has a molecular weight of 357.41 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-morpholin-4-yl-6-(oxan-4-yloxy)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 67021802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).