methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate

C7H9N3O4 — CID 101415767

IUPACmethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
SMILESCOC(=O)c1nc(OC)nc(OC)n1
InChIInChI=1S/C7H9N3O4/c1-12-5(11)4-8-6(13-2)10-7(9-4)14-3/h1-3H3
InChIKeyYPMVQWYPYXFOIR-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.32
Rot. Bonds3

About methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate

methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate (PubChem CID 101415767) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
PubChem CID101415767
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Namemethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
SMILESCOC(=O)c1nc(OC)nc(OC)n1
InChIInChI=1S/C7H9N3O4/c1-12-5(11)4-8-6(13-2)10-7(9-4)14-3/h1-3H3
InChIKeyYPMVQWYPYXFOIR-UHFFFAOYSA-N
XLogP-0.32
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
The IUPAC name of methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate (CID 101415767) is methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
The canonical SMILES for methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate is COC(=O)c1nc(OC)nc(OC)n1.
What is the InChIKey of methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
The InChIKey is YPMVQWYPYXFOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-12-5(11)4-8-6(13-2)10-7(9-4)14-3/h1-3H3.
What are the key properties of methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate has a molecular weight of 199.17 g/mol, XLogP of -0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 101415767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).