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

C11H19N5O3 — CID 657597

IUPACethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H19N5O3/c1-6-18-8(17)7-19-11-13-9(15(2)3)12-10(14-11)16(4)5/h6-7H2,1-5H3
InChIKeyAEIIZVYVZTYUIR-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.05
Rot. Bonds6

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

ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate (PubChem CID 657597) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate
PubChem CID657597
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Nameethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate
SMILESCCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H19N5O3/c1-6-18-8(17)7-19-11-13-9(15(2)3)12-10(14-11)16(4)5/h6-7H2,1-5H3
InChIKeyAEIIZVYVZTYUIR-UHFFFAOYSA-N
XLogP-0.05
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate (CID 657597) is ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate is CCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate?
The InChIKey is AEIIZVYVZTYUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-6-18-8(17)7-19-11-13-9(15(2)3)12-10(14-11)16(4)5/h6-7H2,1-5H3.
What are the key properties of ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate?
ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate has a molecular weight of 269.30 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]acetate is sourced from PubChem (CID 657597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).