1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol

C15H30N6O6 — CID 71179239

IUPAC1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
SMILESCOCN(COC)c1nc(N(COC)C(C)O)nc(N(COC)C(C)O)n1
InChIInChI=1S/C15H30N6O6/c1-11(22)20(9-26-5)14-16-13(19(7-24-3)8-25-4)17-15(18-14)21(10-27-6)12(2)23/h11-12,22-23H,7-10H2,1-6H3
InChIKeyKFSPLMMDVUEJFM-UHFFFAOYSA-N
MW390.44 g/mol
LogP-0.62
Rot. Bonds13

About 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol

1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol (PubChem CID 71179239) has the molecular formula C15H30N6O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol.

Molecular Properties

Compound Name1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
PubChem CID71179239
Molecular FormulaC15H30N6O6
Molecular Weight390.44 g/mol
Exact Mass390.22
IUPAC Name1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
SMILESCOCN(COC)c1nc(N(COC)C(C)O)nc(N(COC)C(C)O)n1
InChIInChI=1S/C15H30N6O6/c1-11(22)20(9-26-5)14-16-13(19(7-24-3)8-25-4)17-15(18-14)21(10-27-6)12(2)23/h11-12,22-23H,7-10H2,1-6H3
InChIKeyKFSPLMMDVUEJFM-UHFFFAOYSA-N
XLogP-0.62
TPSA125.77 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
The IUPAC name of 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol (CID 71179239) is 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol.
What is the SMILES notation for 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
The canonical SMILES for 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol is COCN(COC)c1nc(N(COC)C(C)O)nc(N(COC)C(C)O)n1.
What is the InChIKey of 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
The InChIKey is KFSPLMMDVUEJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O6/c1-11(22)20(9-26-5)14-16-13(19(7-24-3)8-25-4)17-15(18-14)21(10-27-6)12(2)23/h11-12,22-23H,7-10H2,1-6H3.
What are the key properties of 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol?
1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol has a molecular weight of 390.44 g/mol, XLogP of -0.62, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[bis(methoxymethyl)amino]-6-[1-hydroxyethyl(methoxymethyl)amino]-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol is sourced from PubChem (CID 71179239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).