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

C18H36N6O6 — CID 15835047

IUPAC[[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol
SMILESCCCOCN(CO)c1nc(N(CO)COCCC)nc(N(CO)COCCC)n1
InChIInChI=1S/C18H36N6O6/c1-4-7-28-13-22(10-25)16-19-17(23(11-26)14-29-8-5-2)21-18(20-16)24(12-27)15-30-9-6-3/h25-27H,4-15H2,1-3H3
InChIKeyYKYKAORBVXSCGE-UHFFFAOYSA-N
MW432.52 g/mol
LogP0.29
Rot. Bonds18

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

[[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol (PubChem CID 15835047) has the molecular formula C18H36N6O6 and a molecular weight of 432.52 g/mol. Its IUPAC name is [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol.

Molecular Properties

Compound Name[[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol
PubChem CID15835047
Molecular FormulaC18H36N6O6
Molecular Weight432.52 g/mol
Exact Mass432.27
IUPAC Name[[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol
SMILESCCCOCN(CO)c1nc(N(CO)COCCC)nc(N(CO)COCCC)n1
InChIInChI=1S/C18H36N6O6/c1-4-7-28-13-22(10-25)16-19-17(23(11-26)14-29-8-5-2)21-18(20-16)24(12-27)15-30-9-6-3/h25-27H,4-15H2,1-3H3
InChIKeyYKYKAORBVXSCGE-UHFFFAOYSA-N
XLogP0.29
TPSA136.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Bis(methoxymethyl)tetrakis((octadecyloxy)methyl)melamine
CID 121232749
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
s-Triazine-1,3,5-triamine, hexakis(isopentyloxymethyl)-
CID 3057111
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
Tricyanoethoxymethyl trimethylol melamine
CID 374757
Methanol, (4,6-bis(bis(butoxymethyl)amino)-s-triazin-2-ylimino)di-
CID 3057352
[Hydroxymethyl-[4-[hydroxymethyl(methoxymethyl)amino]-6-[hydroxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]amino]methanol
CID 176472522
[[4-[Bis(hydroxymethyl)amino]-6-[hydroxymethyl(octadecoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 176472569
N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexakis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 13160132
[[4,6-Bis[ethoxymethyl(hydroxymethyl)amino]-1,3,5-triazin-2-yl]-(ethoxymethyl)amino]methanol
CID 15835046

Frequently Asked Questions

What is the IUPAC name of [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol?
The IUPAC name of [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol (CID 15835047) is [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol.
What is the SMILES notation for [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol?
The canonical SMILES for [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol is CCCOCN(CO)c1nc(N(CO)COCCC)nc(N(CO)COCCC)n1.
What is the InChIKey of [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol?
The InChIKey is YKYKAORBVXSCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N6O6/c1-4-7-28-13-22(10-25)16-19-17(23(11-26)14-29-8-5-2)21-18(20-16)24(12-27)15-30-9-6-3/h25-27H,4-15H2,1-3H3.
What are the key properties of [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol?
[[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol has a molecular weight of 432.52 g/mol, XLogP of 0.29, 18 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [[4,6-bis[hydroxymethyl(propoxymethyl)amino]-1,3,5-triazin-2-yl]-(propoxymethyl)amino]methanol is sourced from PubChem (CID 15835047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).