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

C18H23N5O4 — CID 1087038

IUPACethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N5O4/c1-3-19-16-20-17(23-9-11-25-12-10-23)22-18(21-16)27-14-7-5-13(6-8-14)15(24)26-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,20,21,22)
InChIKeyCHUPWXAVGHHUJY-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.11
Rot. Bonds7

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

ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 1087038) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID1087038
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Nameethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N5O4/c1-3-19-16-20-17(23-9-11-25-12-10-23)22-18(21-16)27-14-7-5-13(6-8-14)15(24)26-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,20,21,22)
InChIKeyCHUPWXAVGHHUJY-UHFFFAOYSA-N
XLogP2.11
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

4-(4-Ethylamino-6-methylsulfanyl-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 646307
Methyl 4-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742830
Methyl 4-{[4-amino-6-(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 969719
4-[[4-(Dimethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy]benzoic acid methyl ester
CID 1302670
Methyl 4-{[4-(diethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]oxy}benzoate
CID 2243514
2-[4-[[4,6-Bis[4-[2-(trimethylazaniumyl)ethoxycarbonyl]phenoxy]-1,3,5-triazin-2-yl]oxy]benzoyl]oxyethyl-trimethylazanium
CID 91885433
Methyl 4-{[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 742833
Methyl 4-{[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 805286
2-Amino-2-oxoethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 3243755
Ethyl 4-{[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]oxy}benzoate
CID 646098
4-(4-Dimethylamino-6-isopropylamino-[1,3,5]triazin-2-yloxy)-benzoic acid methyl ester
CID 647596
Ethyl 4-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]benzoate
CID 654452

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (CID 1087038) is ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is CCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is CHUPWXAVGHHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-3-19-16-20-17(23-9-11-25-12-10-23)22-18(21-16)27-14-7-5-13(6-8-14)15(24)26-4-2/h5-8H,3-4,9-12H2,1-2H3,(H,19,20,21,22).
What are the key properties of ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 373.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 1087038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).