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

C10H19ClN4O3 — CID 69233302

IUPAC4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride
SMILESCOC1=NC(OC)N([N+]2(C)CCOCC2)C=N1.[Cl-]
InChIInChI=1S/C10H19N4O3.ClH/c1-14(4-6-17-7-5-14)13-8-11-9(15-2)12-10(13)16-3;/h8,10H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyJFJMYEQRSMHBBS-UHFFFAOYSA-M
MW278.74 g/mol
LogP-3.34
Rot. Bonds2

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

4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride (PubChem CID 69233302) has the molecular formula C10H19ClN4O3 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride.

Molecular Properties

Compound Name4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride
PubChem CID69233302
Molecular FormulaC10H19ClN4O3
Molecular Weight278.74 g/mol
Exact Mass278.11
IUPAC Name4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride
SMILESCOC1=NC(OC)N([N+]2(C)CCOCC2)C=N1.[Cl-]
InChIInChI=1S/C10H19N4O3.ClH/c1-14(4-6-17-7-5-14)13-8-11-9(15-2)12-10(13)16-3;/h8,10H,4-7H2,1-3H3;1H/q+1;/p-1
InChIKeyJFJMYEQRSMHBBS-UHFFFAOYSA-M
XLogP-3.34
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 5-3.34
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-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride?
The IUPAC name of 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride (CID 69233302) is 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride.
What is the SMILES notation for 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride?
The canonical SMILES for 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride is COC1=NC(OC)N([N+]2(C)CCOCC2)C=N1.[Cl-].
What is the InChIKey of 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride?
The InChIKey is JFJMYEQRSMHBBS-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19N4O3.ClH/c1-14(4-6-17-7-5-14)13-8-11-9(15-2)12-10(13)16-3;/h8,10H,4-7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride?
4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride has a molecular weight of 278.74 g/mol, XLogP of -3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-2H-1,3,5-triazin-1-yl)-4-methylmorpholin-4-ium chloride is sourced from PubChem (CID 69233302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).