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

C19H18N4O4 — CID 6958950

IUPACmethyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(NCc3ccccc3)nc(OC)n2)cc1
InChIInChI=1S/C19H18N4O4/c1-25-16(24)14-8-10-15(11-9-14)27-19-22-17(21-18(23-19)26-2)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22,23)
InChIKeyOJSVLCWTOXNIHY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.07
Rot. Bonds7

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

methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (PubChem CID 6958950) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
PubChem CID6958950
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Namemethyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate
SMILESCOC(=O)c1ccc(Oc2nc(NCc3ccccc3)nc(OC)n2)cc1
InChIInChI=1S/C19H18N4O4/c1-25-16(24)14-8-10-15(11-9-14)27-19-22-17(21-18(23-19)26-2)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22,23)
InChIKeyOJSVLCWTOXNIHY-UHFFFAOYSA-N
XLogP3.07
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

methyl 4-[[4,6-bis(4-methoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 3094623
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
methyl 4-[[4-(dimethylamino)-6-(methoxymethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 29128239
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
methyl 4-[4-(anilinomethyl)phenyl]benzoate
CID 134537510
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 3-[[4-(4-tert-butylphenoxy)-6-phenoxy-1,3,5-triazin-2-yl]amino]benzoate
CID 86729981
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 721063
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The IUPAC name of methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate (CID 6958950) is methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate.
What is the SMILES notation for methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The canonical SMILES for methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is COC(=O)c1ccc(Oc2nc(NCc3ccccc3)nc(OC)n2)cc1.
What is the InChIKey of methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
The InChIKey is OJSVLCWTOXNIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-25-16(24)14-8-10-15(11-9-14)27-19-22-17(21-18(23-19)26-2)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22,23).
What are the key properties of methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate?
methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate has a molecular weight of 366.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(benzylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzoate is sourced from PubChem (CID 6958950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).