ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate

C11H18ClN5O2 — CID 55125044

IUPACethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C11H18ClN5O2/c1-4-17(5-2)11-15-9(12)14-10(16-11)13-7-8(18)19-6-3/h4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyLFBWLDUUHLIDLP-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.35
Rot. Bonds7

About ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate

ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate (PubChem CID 55125044) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate
PubChem CID55125044
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Nameethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C11H18ClN5O2/c1-4-17(5-2)11-15-9(12)14-10(16-11)13-7-8(18)19-6-3/h4-7H2,1-3H3,(H,13,14,15,16)
InChIKeyLFBWLDUUHLIDLP-UHFFFAOYSA-N
XLogP1.35
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate?
The IUPAC name of ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate (CID 55125044) is ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate is CCOC(=O)CNc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate?
The InChIKey is LFBWLDUUHLIDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-4-17(5-2)11-15-9(12)14-10(16-11)13-7-8(18)19-6-3/h4-7H2,1-3H3,(H,13,14,15,16).
What are the key properties of ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate?
ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate has a molecular weight of 287.75 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]acetate is sourced from PubChem (CID 55125044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).