2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

C13H26N6O6 — CID 23516481

IUPAC2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N(COC)COC)nc(N(OC)OC)n1
InChIInChI=1S/C13H26N6O6/c1-20-7-17(8-21-2)11-14-12(18(9-22-3)10-23-4)16-13(15-11)19(24-5)25-6/h7-10H2,1-6H3
InChIKeyJFDOIQPNPNDTLK-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.17
Rot. Bonds13

About 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23516481) has the molecular formula C13H26N6O6 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23516481
Molecular FormulaC13H26N6O6
Molecular Weight362.39 g/mol
Exact Mass362.19
IUPAC Name2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOCN(COC)c1nc(N(COC)COC)nc(N(OC)OC)n1
InChIInChI=1S/C13H26N6O6/c1-20-7-17(8-21-2)11-14-12(18(9-22-3)10-23-4)16-13(15-11)19(24-5)25-6/h7-10H2,1-6H3
InChIKeyJFDOIQPNPNDTLK-UHFFFAOYSA-N
XLogP-0.17
TPSA103.77 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Hexakis(methoxymethyl)melamine
CID 62479
((4,6-Bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methanol
CID 83757
N-Cyano-N',N',N'',N''-tetramethyl-N-methoxymethyl-1,3,5-triazine-2,4,6-triamine
CID 619687
N~2~,N~2~,N~4~,N~4~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19596821
Hmmm TP363
CID 20318181
Hmmm TP349
CID 20484942
(4,6-Dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide
CID 869028
1,3,5-Triazine-2,4-diamine, 6-((dimethylamino)oxy)-N,N,N',N'-tetramethyl-
CID 11971486
[1,3,5]Triazine-2,4-diamine, 6-methoxy-N,N,N',N'-tetramethyl-
CID 765383
N~2~-(Methoxymethyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine
CID 375166
2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine
CID 379202
Methanol, 1,1',1'',1''',1'''',1'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakis-, trimethyl ether
CID 57603619

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 23516481) is 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is COCN(COC)c1nc(N(COC)COC)nc(N(OC)OC)n1.
What is the InChIKey of 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JFDOIQPNPNDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O6/c1-20-7-17(8-21-2)11-14-12(18(9-22-3)10-23-4)16-13(15-11)19(24-5)25-6/h7-10H2,1-6H3.
What are the key properties of 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 362.39 g/mol, XLogP of -0.17, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23516481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).