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

C10H17N4O3+ — CID 2734060

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
SMILESCOc1nc(OC)nc([N+]2(C)CCOCC2)n1
InChIInChI=1S/C10H17N4O3/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1
InChIKeyNZBKIOJQXNGENQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP-0.14
Rot. Bonds3

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

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium (PubChem CID 2734060) has the molecular formula C10H17N4O3+ and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
PubChem CID2734060
Molecular FormulaC10H17N4O3+
Molecular Weight241.27 g/mol
Exact Mass241.13
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
SMILESCOc1nc(OC)nc([N+]2(C)CCOCC2)n1
InChIInChI=1S/C10H17N4O3/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1
InChIKeyNZBKIOJQXNGENQ-UHFFFAOYSA-N
XLogP-0.14
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 5-0.14
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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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium (CID 2734060) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium is COc1nc(OC)nc([N+]2(C)CCOCC2)n1.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
The InChIKey is NZBKIOJQXNGENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N4O3/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3/h4-7H2,1-3H3/q+1.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium has a molecular weight of 241.27 g/mol, XLogP of -0.14, 3 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-methylmorpholin-4-ium is sourced from PubChem (CID 2734060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).