2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide

C12H20N5O3+ — CID 175112281

IUPAC2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(OC)nc([N+]2(C)CCOCC2)n1
InChIInChI=1S/C12H19N5O3/c1-13-10(18)8-9-14-11(16-12(15-9)19-3)17(2)4-6-20-7-5-17/h4-8H2,1-3H3/p+1
InChIKeyZTHDBAFATBWXPS-UHFFFAOYSA-O
MW282.32 g/mol
LogP-0.86
Rot. Bonds4

About 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide

2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide (PubChem CID 175112281) has the molecular formula C12H20N5O3+ and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide
PubChem CID175112281
Molecular FormulaC12H20N5O3+
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Name2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide
SMILESCNC(=O)Cc1nc(OC)nc([N+]2(C)CCOCC2)n1
InChIInChI=1S/C12H19N5O3/c1-13-10(18)8-9-14-11(16-12(15-9)19-3)17(2)4-6-20-7-5-17/h4-8H2,1-3H3/p+1
InChIKeyZTHDBAFATBWXPS-UHFFFAOYSA-O
XLogP-0.86
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide (CID 175112281) is 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide is CNC(=O)Cc1nc(OC)nc([N+]2(C)CCOCC2)n1.
What is the InChIKey of 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide?
The InChIKey is ZTHDBAFATBWXPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19N5O3/c1-13-10(18)8-9-14-11(16-12(15-9)19-3)17(2)4-6-20-7-5-17/h4-8H2,1-3H3/p+1.
What are the key properties of 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide?
2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide has a molecular weight of 282.32 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-(4-methylmorpholin-4-ium-4-yl)-1,3,5-triazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 175112281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).