4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium

C11H19N4O3+ — CID 137446487

IUPAC4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium
SMILESCOc1nc(C[N+]2(C)CCOCC2)nc(OC)n1
InChIInChI=1S/C11H19N4O3/c1-15(4-6-18-7-5-15)8-9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1
InChIKeyUYRMVKWHADTXBH-UHFFFAOYSA-N
MW255.30 g/mol
LogP-0.13
Rot. Bonds4

About 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium

4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium (PubChem CID 137446487) 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)methyl]-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium
PubChem CID137446487
Molecular FormulaC11H19N4O3+
Molecular Weight255.30 g/mol
Exact Mass255.15
IUPAC Name4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium
SMILESCOc1nc(C[N+]2(C)CCOCC2)nc(OC)n1
InChIInChI=1S/C11H19N4O3/c1-15(4-6-18-7-5-15)8-9-12-10(16-2)14-11(13-9)17-3/h4-8H2,1-3H3/q+1
InChIKeyUYRMVKWHADTXBH-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium?
The IUPAC name of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium (CID 137446487) is 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium?
The canonical SMILES for 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium is COc1nc(C[N+]2(C)CCOCC2)nc(OC)n1.
What is the InChIKey of 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium?
The InChIKey is UYRMVKWHADTXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N4O3/c1-15(4-6-18-7-5-15)8-9-12-10(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)methyl]-4-methylmorpholin-4-ium?
4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methylmorpholin-4-ium has a molecular weight of 255.30 g/mol, XLogP of -0.13, 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)methyl]-4-methylmorpholin-4-ium is sourced from PubChem (CID 137446487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).