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

C8H11N3O2 — CID 19778897

IUPACethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(C)nc(C)n1
InChIInChI=1S/C8H11N3O2/c1-4-13-8(12)7-10-5(2)9-6(3)11-7/h4H2,1-3H3
InChIKeyUORIGMKHJNLSOE-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.67
Rot. Bonds2

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

ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate (PubChem CID 19778897) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate
PubChem CID19778897
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate
SMILESCCOC(=O)c1nc(C)nc(C)n1
InChIInChI=1S/C8H11N3O2/c1-4-13-8(12)7-10-5(2)9-6(3)11-7/h4H2,1-3H3
InChIKeyUORIGMKHJNLSOE-UHFFFAOYSA-N
XLogP0.67
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate?
The IUPAC name of ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate (CID 19778897) is ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate?
The canonical SMILES for ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate is CCOC(=O)c1nc(C)nc(C)n1.
What is the InChIKey of ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate?
The InChIKey is UORIGMKHJNLSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-13-8(12)7-10-5(2)9-6(3)11-7/h4H2,1-3H3.
What are the key properties of ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate?
ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dimethyl-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 19778897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).