(4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate

C11H17N3O4 — CID 101220024

IUPAC(4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
SMILESCCOc1nc(OC)nc(OC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H17N3O4/c1-6-17-9-12-8(16-5)13-10(14-9)18-7(15)11(2,3)4/h6H2,1-5H3
InChIKeyWJVQDXAPUIOLTB-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.23
Rot. Bonds4

About (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate

(4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate (PubChem CID 101220024) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
PubChem CID101220024
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate
SMILESCCOc1nc(OC)nc(OC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H17N3O4/c1-6-17-9-12-8(16-5)13-10(14-9)18-7(15)11(2,3)4/h6H2,1-5H3
InChIKeyWJVQDXAPUIOLTB-UHFFFAOYSA-N
XLogP1.23
TPSA83.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
The IUPAC name of (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate (CID 101220024) is (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate is CCOc1nc(OC)nc(OC(=O)C(C)(C)C)n1.
What is the InChIKey of (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
The InChIKey is WJVQDXAPUIOLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6-17-9-12-8(16-5)13-10(14-9)18-7(15)11(2,3)4/h6H2,1-5H3.
What are the key properties of (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate?
(4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate has a molecular weight of 255.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-6-methoxy-1,3,5-triazin-2-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 101220024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).