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

C11H19N5O3 — CID 653990

IUPAC2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
SMILESCC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H19N5O3/c1-8(17)18-6-7-19-11-13-9(15(2)3)12-10(14-11)16(4)5/h6-7H2,1-5H3
InChIKeyZKAITIHSJWVRFG-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.05
Rot. Bonds6

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

2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate (PubChem CID 653990) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate.

Molecular Properties

Compound Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
PubChem CID653990
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
SMILESCC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H19N5O3/c1-8(17)18-6-7-19-11-13-9(15(2)3)12-10(14-11)16(4)5/h6-7H2,1-5H3
InChIKeyZKAITIHSJWVRFG-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

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 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
The IUPAC name of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate (CID 653990) is 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate.
What is the SMILES notation for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
The canonical SMILES for 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate is CC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
The InChIKey is ZKAITIHSJWVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-8(17)18-6-7-19-11-13-9(15(2)3)12-10(14-11)16(4)5/h6-7H2,1-5H3.
What are the key properties of 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate?
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl 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 2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate is sourced from PubChem (CID 653990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).