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

C17H21N5O4 — CID 1302670

IUPACmethyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N5O4/c1-21(2)15-18-16(22-8-10-25-11-9-22)20-17(19-15)26-13-6-4-12(5-7-13)14(23)24-3/h4-7H,8-11H2,1-3H3
InChIKeyNDYUJMGUQAHBAG-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.35
Rot. Bonds5

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

methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 1302670) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID1302670
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Namemethyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(N(C)C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C17H21N5O4/c1-21(2)15-18-16(22-8-10-25-11-9-22)20-17(19-15)26-13-6-4-12(5-7-13)14(23)24-3/h4-7H,8-11H2,1-3H3
InChIKeyNDYUJMGUQAHBAG-UHFFFAOYSA-N
XLogP1.35
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate (CID 1302670) is methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(N(C)C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is NDYUJMGUQAHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-21(2)15-18-16(22-8-10-25-11-9-22)20-17(19-15)26-13-6-4-12(5-7-13)14(23)24-3/h4-7H,8-11H2,1-3H3.
What are the key properties of methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 359.39 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 1302670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).