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

C15H18N4O3S — CID 797071

IUPACethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1
InChIInChI=1S/C15H18N4O3S/c1-4-16-13-17-14(19-15(18-13)23-3)22-11-8-6-10(7-9-11)12(20)21-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyDUOGQOGECKWZKB-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.99
Rot. Bonds7

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

ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 797071) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID797071
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Nameethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1
InChIInChI=1S/C15H18N4O3S/c1-4-16-13-17-14(19-15(18-13)23-3)22-11-8-6-10(7-9-11)12(20)21-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyDUOGQOGECKWZKB-UHFFFAOYSA-N
XLogP2.99
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate with MolForge

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Related Compounds

(1-methoxy-1-oxopropan-2-yl) 4-[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3131761
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
ethyl 4-[[4-(tert-butylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3236720
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 23265613
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
ethyl 2-[[4-(ethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]propanoate
CID 657589
methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
ethyl 4-[4-(2-amino-2-methylpropyl)phenoxy]benzoate
CID 22147767
ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 108777214
ethyl 4-[4-(aminomethyl)phenoxy]benzoate
CID 66585359

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate (CID 797071) is ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate is CCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1.
What is the InChIKey of ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is DUOGQOGECKWZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-4-16-13-17-14(19-15(18-13)23-3)22-11-8-6-10(7-9-11)12(20)21-5-2/h6-9H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate?
ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 334.40 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 797071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).