methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate

C11H20N6O3 — CID 2185926

IUPACmethyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate
SMILESCOC(=O)NCCOc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O3/c1-16(2)8-13-9(17(3)4)15-10(14-8)20-7-6-12-11(18)19-5/h6-7H2,1-5H3,(H,12,18)
InChIKeyXONWRNREIQZLCE-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.26
Rot. Bonds6

About methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate

methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate (PubChem CID 2185926) has the molecular formula C11H20N6O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate
PubChem CID2185926
Molecular FormulaC11H20N6O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Namemethyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate
SMILESCOC(=O)NCCOc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H20N6O3/c1-16(2)8-13-9(17(3)4)15-10(14-8)20-7-6-12-11(18)19-5/h6-7H2,1-5H3,(H,12,18)
InChIKeyXONWRNREIQZLCE-UHFFFAOYSA-N
XLogP-0.26
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate?
The IUPAC name of methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate (CID 2185926) is methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate is COC(=O)NCCOc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate?
The InChIKey is XONWRNREIQZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3/c1-16(2)8-13-9(17(3)4)15-10(14-8)20-7-6-12-11(18)19-5/h6-7H2,1-5H3,(H,12,18).
What are the key properties of methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate?
methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate has a molecular weight of 284.32 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl]carbamate is sourced from PubChem (CID 2185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).