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

C14H16N4O4 — CID 646098

IUPACethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(NC)nc(OC)n2)cc1
InChIInChI=1S/C14H16N4O4/c1-4-21-11(19)9-5-7-10(8-6-9)22-14-17-12(15-2)16-13(18-14)20-3/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyBODBZFMLTIXQTR-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.89
Rot. Bonds6

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

ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 646098) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID646098
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Nameethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(NC)nc(OC)n2)cc1
InChIInChI=1S/C14H16N4O4/c1-4-21-11(19)9-5-7-10(8-6-9)22-14-17-12(15-2)16-13(18-14)20-3/h5-8H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyBODBZFMLTIXQTR-UHFFFAOYSA-N
XLogP1.89
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate (CID 646098) is ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate is CCOC(=O)c1ccc(Oc2nc(NC)nc(OC)n2)cc1.
What is the InChIKey of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is BODBZFMLTIXQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-4-21-11(19)9-5-7-10(8-6-9)22-14-17-12(15-2)16-13(18-14)20-3/h5-8H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate?
ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 304.31 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 646098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).