ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate

C20H25N5O5 — CID 23607174

IUPACethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O5/c1-2-29-17(26)15-3-5-16(6-4-15)30-20-22-18(24-7-11-27-12-8-24)21-19(23-20)25-9-13-28-14-10-25/h3-6H,2,7-14H2,1H3
InChIKeyQCYUDBMUMKOMCL-UHFFFAOYSA-N
MW415.45 g/mol
LogP1.51
Rot. Bonds6

About ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate

ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate (PubChem CID 23607174) has the molecular formula C20H25N5O5 and a molecular weight of 415.45 g/mol. Its IUPAC name is ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
PubChem CID23607174
Molecular FormulaC20H25N5O5
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Nameethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H25N5O5/c1-2-29-17(26)15-3-5-16(6-4-15)30-20-22-18(24-7-11-27-12-8-24)21-19(23-20)25-9-13-28-14-10-25/h3-6H,2,7-14H2,1H3
InChIKeyQCYUDBMUMKOMCL-UHFFFAOYSA-N
XLogP1.51
TPSA99.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The IUPAC name of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate (CID 23607174) is ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate.
What is the SMILES notation for ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The canonical SMILES for ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate is CCOC(=O)c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
The InChIKey is QCYUDBMUMKOMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O5/c1-2-29-17(26)15-3-5-16(6-4-15)30-20-22-18(24-7-11-27-12-8-24)21-19(23-20)25-9-13-28-14-10-25/h3-6H,2,7-14H2,1H3.
What are the key properties of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate?
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate has a molecular weight of 415.45 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]benzoate is sourced from PubChem (CID 23607174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).