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

C10H21N4O3+ — CID 67382888

IUPAC4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium
SMILESCON1CN=C([N+]2(C)CCOCC2)N(OC)C1
InChIInChI=1S/C10H21N4O3/c1-14(4-6-17-7-5-14)10-11-8-12(15-2)9-13(10)16-3/h4-9H2,1-3H3/q+1
InChIKeyVAZVLYQHYHKQDZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.53
Rot. Bonds2

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

4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium (PubChem CID 67382888) has the molecular formula C10H21N4O3+ and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium
PubChem CID67382888
Molecular FormulaC10H21N4O3+
Molecular Weight245.30 g/mol
Exact Mass245.16
IUPAC Name4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium
SMILESCON1CN=C([N+]2(C)CCOCC2)N(OC)C1
InChIInChI=1S/C10H21N4O3/c1-14(4-6-17-7-5-14)10-11-8-12(15-2)9-13(10)16-3/h4-9H2,1-3H3/q+1
InChIKeyVAZVLYQHYHKQDZ-UHFFFAOYSA-N
XLogP-0.53
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.53
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

4-(2,6-dimethoxy-3-methyl-2H-1,3,5-triazin-4-yl)morpholine
CID 90931072
Dimorpholin-4-ylmethylidenecyanamide
CID 102528420
(3E)-3-[dimethylamino-[(E)-[dimethylamino(morpholin-4-yl)methylidene]amino]methylidene]-1,1-dimethylurea
CID 11077383
CID 58852840
CID 58852840
4-[1-(2-Methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine
CID 59325844
4-(1,3-dimethyl-5,6-dihydro-4H-pyrimidin-1-ium-2-yl)morpholine
CID 59325846
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium;hydrochloride
CID 66916510
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium
CID 66916511
4-(1,3-Dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium chloride
CID 67382887
4-(1,2-dimethoxy-2H-1,3,5-triazin-4-yl)-4-methylmorpholin-4-ium chloride
CID 68925000
4-(1-chloro-4,6-dimethoxy-2H-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium
CID 87496890
N'-(2-ethoxyethyl)morpholine-4-carboximidamide
CID 111045506

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium (CID 67382888) is 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium is CON1CN=C([N+]2(C)CCOCC2)N(OC)C1.
What is the InChIKey of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium?
The InChIKey is VAZVLYQHYHKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N4O3/c1-14(4-6-17-7-5-14)10-11-8-12(15-2)9-13(10)16-3/h4-9H2,1-3H3/q+1.
What are the key properties of 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium?
4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium has a molecular weight of 245.30 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethoxy-2,4-dihydro-1,3,5-triazin-6-yl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 67382888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).