4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium

C11H19N4O3+ — CID 18420027

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
SMILESCC[N+]1(c2nc(OC)nc(OC)n2)CCOCC1
InChIInChI=1S/C11H19N4O3/c1-4-15(5-7-18-8-6-15)9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1
InChIKeyYBVOLTLBZYLXMH-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.25
Rot. Bonds4

About 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium (PubChem CID 18420027) has the molecular formula C11H19N4O3+ and a molecular weight of 255.30 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
PubChem CID18420027
Molecular FormulaC11H19N4O3+
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium
SMILESCC[N+]1(c2nc(OC)nc(OC)n2)CCOCC1
InChIInChI=1S/C11H19N4O3/c1-4-15(5-7-18-8-6-15)9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1
InChIKeyYBVOLTLBZYLXMH-UHFFFAOYSA-N
XLogP0.25
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-Trimorpholino-1,3,5-triazine
CID 85361
Acetonitrile, ((4,6-di-4-morpholinyl-1,3,5-triazin-2-yl)oxy)-
CID 644599
2,4-Dichloro-6-morpholino-1,3,5-triazine
CID 81076
N,N-dimethyl-4-morpholin-4-yl-6-(propan-2-ylideneamino)oxy-1,3,5-triazin-2-amine
CID 943695
2-Ethoxy-4,6-dimorpholin-4-yl-1,3,5-triazine
CID 703119
N-[4-[hydroxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 44186462
4-Methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
CID 709353
6-(4-Morpholinyl)-1,3,5-triazine-2,4-diamine
CID 96906
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride
CID 2734059
2-Chloro-4-methoxy-6-(morpholin-4-yl)-1,3,5-triazine
CID 686256
(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-(2-methylpropyl)cyanamide
CID 715190
4-methoxy-N-methyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 976569

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium (CID 18420027) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium is CC[N+]1(c2nc(OC)nc(OC)n2)CCOCC1.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
The InChIKey is YBVOLTLBZYLXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4O3/c1-4-15(5-7-18-8-6-15)9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium has a molecular weight of 255.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-ethylmorpholin-4-ium is sourced from PubChem (CID 18420027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).