2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate

C14H13N3O6 — CID 10734366

IUPAC2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C14H13N3O6/c1-20-10(18)8-6-4-5-7-9(8)11(19)23-14-16-12(21-2)15-13(17-14)22-3/h4-7H,1-3H3
InChIKeyVSAWNDBLISITFO-UHFFFAOYSA-N
MW319.27 g/mol
LogP0.89
Rot. Bonds5

About 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate

2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate (PubChem CID 10734366) has the molecular formula C14H13N3O6 and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
PubChem CID10734366
Molecular FormulaC14H13N3O6
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate
SMILESCOC(=O)c1ccccc1C(=O)Oc1nc(OC)nc(OC)n1
InChIInChI=1S/C14H13N3O6/c1-20-10(18)8-6-4-5-7-9(8)11(19)23-14-16-12(21-2)15-13(17-14)22-3/h4-7H,1-3H3
InChIKeyVSAWNDBLISITFO-UHFFFAOYSA-N
XLogP0.89
TPSA109.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate with MolForge

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)oxy]benzoate
CID 19989358
2-O-(2,6-dimethoxyphenyl) 1-O-methyl benzene-1,2-dicarboxylate
CID 6424506
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
methyl 2-[(2-methoxy-6-methylpyrimidin-4-yl)amino]benzoate
CID 16662001
ethane;methyl 2-methoxybenzoate
CID 178037044
methyl 2-(C-chloro-N-hydroxycarbonimidoyl)benzoate
CID 71367271
methyl 2-(6-chloropyrazine-2-carbonyl)benzoate
CID 174797309
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844

Frequently Asked Questions

What is the IUPAC name of 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate?
The IUPAC name of 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate (CID 10734366) is 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate.
What is the SMILES notation for 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate?
The canonical SMILES for 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate is COC(=O)c1ccccc1C(=O)Oc1nc(OC)nc(OC)n1.
What is the InChIKey of 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate?
The InChIKey is VSAWNDBLISITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O6/c1-20-10(18)8-6-4-5-7-9(8)11(19)23-14-16-12(21-2)15-13(17-14)22-3/h4-7H,1-3H3.
What are the key properties of 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate?
2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate has a molecular weight of 319.27 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(4,6-dimethoxy-1,3,5-triazin-2-yl) 1-O-methyl benzene-1,2-dicarboxylate is sourced from PubChem (CID 10734366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).