[[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol

C15H30N6O6 — CID 15835046

IUPAC[[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol
SMILESCCOCN(CO)c1nc(N(CO)COCC)nc(N(CO)COCC)n1
InChIInChI=1S/C15H30N6O6/c1-4-25-10-19(7-22)13-16-14(20(8-23)11-26-5-2)18-15(17-13)21(9-24)12-27-6-3/h22-24H,4-12H2,1-3H3
InChIKeyREZRNDZDOFGVTO-UHFFFAOYSA-N
MW390.44 g/mol
LogP-0.88
Rot. Bonds15

About [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol

[[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol (PubChem CID 15835046) has the molecular formula C15H30N6O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol.

Molecular Properties

Compound Name[[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol
PubChem CID15835046
Molecular FormulaC15H30N6O6
Molecular Weight390.44 g/mol
Exact Mass390.22
IUPAC Name[[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol
SMILESCCOCN(CO)c1nc(N(CO)COCC)nc(N(CO)COCC)n1
InChIInChI=1S/C15H30N6O6/c1-4-25-10-19(7-22)13-16-14(20(8-23)11-26-5-2)18-15(17-13)21(9-24)12-27-6-3/h22-24H,4-12H2,1-3H3
InChIKeyREZRNDZDOFGVTO-UHFFFAOYSA-N
XLogP-0.88
TPSA136.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol with MolForge

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Related Compounds

Hexamethylolmelamine
CID 62361
Trimelamol
CID 92368
((4,6-Bis(bis(methoxymethyl)amino)-1,3,5-triazin-2-yl)(methoxymethyl)amino)methanol
CID 83757
Hmmm TP363
CID 20318181
Hmmm TP311
CID 20463987
Hmmm TP349
CID 20484942
N2,N2,N4,N4,N6,N6-Hexakis(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 202358
s-Triazine-1,3,5-triamine, hexakis(isopropoxymethyl)-
CID 208792
(4-Dimethylamino-6-methoxy-[1,3,5]triazin-2-yl)-(2-ethoxy-ethoxymethyl)-cyanamide
CID 647860
Methanol, 1,1',1'',1''',1'''',1'''''-(1,3,5-triazine-2,4,6-triyltrinitrilo)hexakis-, trimethyl ether
CID 57603619
2-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 1893539
2-[2-(2-Methoxyethoxy)ethoxy]ethan-1-ol--N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine (1/1)
CID 6455734

Frequently Asked Questions

What is the IUPAC name of [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol?
The IUPAC name of [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol (CID 15835046) is [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol.
What is the SMILES notation for [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol?
The canonical SMILES for [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol is CCOCN(CO)c1nc(N(CO)COCC)nc(N(CO)COCC)n1.
What is the InChIKey of [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol?
The InChIKey is REZRNDZDOFGVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6/c1-4-25-10-19(7-22)13-16-14(20(8-23)11-26-5-2)18-15(17-13)21(9-24)12-27-6-3/h22-24H,4-12H2,1-3H3.
What are the key properties of [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol?
[[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol has a molecular weight of 390.44 g/mol, XLogP of -0.88, 15 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol is sourced from PubChem (CID 15835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).