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

C17H21N5O4 — CID 1002166

IUPACmethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O4/c1-3-18-15-19-16(22-8-10-25-11-9-22)21-17(20-15)26-13-6-4-12(5-7-13)14(23)24-2/h4-7H,3,8-11H2,1-2H3,(H,18,19,20,21)
InChIKeyDKKQRNIDGQFQAG-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.72
Rot. Bonds6

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

methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 1002166) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID1002166
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Namemethyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H21N5O4/c1-3-18-15-19-16(22-8-10-25-11-9-22)21-17(20-15)26-13-6-4-12(5-7-13)14(23)24-2/h4-7H,3,8-11H2,1-2H3,(H,18,19,20,21)
InChIKeyDKKQRNIDGQFQAG-UHFFFAOYSA-N
XLogP1.72
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (CID 1002166) is methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is CCNc1nc(Oc2ccc(C(=O)OC)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is DKKQRNIDGQFQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-3-18-15-19-16(22-8-10-25-11-9-22)21-17(20-15)26-13-6-4-12(5-7-13)14(23)24-2/h4-7H,3,8-11H2,1-2H3,(H,18,19,20,21).
What are the key properties of methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 359.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(ethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 1002166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).