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

C11H16ClN5O3 — CID 712293

IUPACethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16ClN5O3/c1-2-20-8(18)7-13-10-14-9(12)15-11(16-10)17-3-5-19-6-4-17/h2-7H2,1H3,(H,13,14,15,16)
InChIKeyQXHRRMIPXGYAAY-UHFFFAOYSA-N
MW301.73 g/mol
LogP0.34
Rot. Bonds5

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

ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (PubChem CID 712293) has the molecular formula C11H16ClN5O3 and a molecular weight of 301.73 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
PubChem CID712293
Molecular FormulaC11H16ClN5O3
Molecular Weight301.73 g/mol
Exact Mass301.09
IUPAC Nameethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C11H16ClN5O3/c1-2-20-8(18)7-13-10-14-9(12)15-11(16-10)17-3-5-19-6-4-17/h2-7H2,1H3,(H,13,14,15,16)
InChIKeyQXHRRMIPXGYAAY-UHFFFAOYSA-N
XLogP0.34
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate (CID 712293) is ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is CCOC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
The InChIKey is QXHRRMIPXGYAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O3/c1-2-20-8(18)7-13-10-14-9(12)15-11(16-10)17-3-5-19-6-4-17/h2-7H2,1H3,(H,13,14,15,16).
What are the key properties of ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate?
ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate has a molecular weight of 301.73 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]acetate is sourced from PubChem (CID 712293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).