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

C8H11N3O4 — CID 101415769

IUPACethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O4/c1-4-15-6(12)5-9-7(13-2)11-8(10-5)14-3/h4H2,1-3H3
InChIKeyZTJJRLRZRQZVPI-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.07
Rot. Bonds4

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

ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate (PubChem CID 101415769) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
PubChem CID101415769
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Nameethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N3O4/c1-4-15-6(12)5-9-7(13-2)11-8(10-5)14-3/h4H2,1-3H3
InChIKeyZTJJRLRZRQZVPI-UHFFFAOYSA-N
XLogP0.07
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,6-Triethyl 1,3,5-triazine-2,4,6-tricarboxylate
CID 13478
Ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
2,4,6-Tris(t-butoxycarbonyl)-1,3,5-triazine
CID 85956319
Methyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate
CID 101415767
Diethyl 1,3,5-triazine-2,4-dicarboxylate
CID 134868409
Ethyl 4-amino-6-methoxy-1,3,5-triazine-2-carboxylate
CID 134989167
Diethyl 6-(trifluoromethyl)-1,3,5-triazine-2,4-dicarboxylate
CID 132821491
Ethyl 4-amino-6-ethoxy-1,3,5-triazine-2-carboxylate
CID 597760
Trimethyl 1,3,5-triazine-2,4,6-tricarboxylate
CID 35563
Ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate
CID 19778897
(4,6-Dimethoxy-1,3,5-triazin-2-yl)methyl 2-cyanoacetate
CID 20294959
Ethyl 4,6-bis(tribromomethyl)-1,3,5-triazine-2-carboxylate
CID 22892764

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate (CID 101415769) is ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate is CCOC(=O)c1nc(OC)nc(OC)n1.
What is the InChIKey of ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
The InChIKey is ZTJJRLRZRQZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-4-15-6(12)5-9-7(13-2)11-8(10-5)14-3/h4H2,1-3H3.
What are the key properties of ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate?
ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate has a molecular weight of 213.19 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethoxy-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 101415769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).