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

C10H17BF4N4O3 — CID 11631268

IUPAC4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate
SMILESCOc1nc(OC)nc([N+]2(C)CCOCC2)n1.F[B-](F)(F)F
InChIInChI=1S/C10H17N4O3.BF4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1
InChIKeyLCRXDNPNQMIQFZ-UHFFFAOYSA-N
MW328.08 g/mol
LogP1.16
Rot. Bonds3

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

4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate (PubChem CID 11631268) has the molecular formula C10H17BF4N4O3 and a molecular weight of 328.08 g/mol. Its IUPAC name is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate.

Molecular Properties

Compound Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate
PubChem CID11631268
Molecular FormulaC10H17BF4N4O3
Molecular Weight328.08 g/mol
Exact Mass328.13
IUPAC Name4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate
SMILESCOc1nc(OC)nc([N+]2(C)CCOCC2)n1.F[B-](F)(F)F
InChIInChI=1S/C10H17N4O3.BF4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1
InChIKeyLCRXDNPNQMIQFZ-UHFFFAOYSA-N
XLogP1.16
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
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)-methylcyanamide
CID 714956
N,N,N',N'-tetramethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 1508119
2-(Dimethylamino)-4,6-dimorpholino-1,3,5-triazine
CID 626291
6-Methoxy-2,4-dimorpholin-4-yl-1,3,5-triazine
CID 703118
4,6-Dimorpholino-2-trimethylammonio-sym-triazine chloride
CID 15890380
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)morpholin-4-ium tetrafluoroborate
CID 44558575
N-[4-[methoxy(methyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-N-methylhydroxylamine
CID 45029393

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate?
The IUPAC name of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate (CID 11631268) is 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate.
What is the SMILES notation for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate?
The canonical SMILES for 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate is COc1nc(OC)nc([N+]2(C)CCOCC2)n1.F[B-](F)(F)F.
What is the InChIKey of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate?
The InChIKey is LCRXDNPNQMIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N4O3.BF4/c1-14(4-6-17-7-5-14)8-11-9(15-2)13-10(12-8)16-3;2-1(3,4)5/h4-7H2,1-3H3;/q+1;-1.
What are the key properties of 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate?
4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-ium tetrafluoroborate has a molecular weight of 328.08 g/mol, XLogP of 1.16, 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 tetrafluoroborate is sourced from PubChem (CID 11631268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).