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

C15H18N4O4 — CID 697670

IUPACethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H18N4O4/c1-5-22-12(20)10-6-8-11(9-7-10)23-15-17-13(19(2)3)16-14(18-15)21-4/h6-9H,5H2,1-4H3
InChIKeyGXFXZCCOVZWYPB-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.92
Rot. Bonds6

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

ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 697670) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID697670
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Nameethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCOC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1
InChIInChI=1S/C15H18N4O4/c1-5-22-12(20)10-6-8-11(9-7-10)23-15-17-13(19(2)3)16-14(18-15)21-4/h6-9H,5H2,1-4H3
InChIKeyGXFXZCCOVZWYPB-UHFFFAOYSA-N
XLogP1.92
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (CID 697670) is ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is CCOC(=O)c1ccc(Oc2nc(OC)nc(N(C)C)n2)cc1.
What is the InChIKey of ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is GXFXZCCOVZWYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-5-22-12(20)10-6-8-11(9-7-10)23-15-17-13(19(2)3)16-14(18-15)21-4/h6-9H,5H2,1-4H3.
What are the key properties of ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 318.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 697670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).