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

C13H13N3O5 — CID 4159286

IUPACmethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H13N3O5/c1-18-10(17)8-6-4-5-7-9(8)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3
InChIKeyDPSLDVOEPSHSSK-UHFFFAOYSA-N
MW291.26 g/mol
LogP1.47
Rot. Bonds5

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

methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate (PubChem CID 4159286) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate
PubChem CID4159286
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Namemethyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate
SMILESCOC(=O)c1ccccc1Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C13H13N3O5/c1-18-10(17)8-6-4-5-7-9(8)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3
InChIKeyDPSLDVOEPSHSSK-UHFFFAOYSA-N
XLogP1.47
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3,3'-((6-Ethoxy-1,3,5-triazine-2,4-diyl)bis(oxy))dibenzoic acid
CID 660047
Methyl 2-{[4-(methylamino)-6-(methylthio)-1,3,5-triazin-2-yl]oxy}benzoate
CID 694923
Ethyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 697670
Benzoic acid, 4,4'-[(6-methoxy-1,3,5-triazine-2,4-diyl)bis(oxy)]bis-
CID 1922350
Methyl 4-{[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy}benzoate
CID 694915
(4,6-Dimethoxy-1,3,5-triazin-2-yl) benzoate
CID 14783082
Methyl 4-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yloxy]benzoate
CID 6492124
2-(4-Methoxybenzoyloxy)-4,6-dimethoxy-1,3,5-triazine
CID 14783084
(1,3,5-Triazin-2-yl)oxybenzaldehyde
CID 141365721
2-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)oxy]-6-(4-fluorophenyl)benzoic acid
CID 56695194
Dimethylamino 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-6-fluorobenzoate
CID 21759830
1,3,5-Triazin-2-yl 2-fluoro-4,6-dimethoxybenzoate
CID 175448171

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate?
The IUPAC name of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate (CID 4159286) is methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate.
What is the SMILES notation for methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate?
The canonical SMILES for methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate is COC(=O)c1ccccc1Oc1nc(OC)nc(OC)n1.
What is the InChIKey of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate?
The InChIKey is DPSLDVOEPSHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c1-18-10(17)8-6-4-5-7-9(8)21-13-15-11(19-2)14-12(16-13)20-3/h4-7H,1-3H3.
What are the key properties of methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate?
methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate has a molecular weight of 291.26 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoate is sourced from PubChem (CID 4159286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).