4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid

C14H23N5O5 — CID 68933241

IUPAC4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid
SMILESCOCCN(C)c1nc(OCCN2CCOCC2)nc(C(=O)O)n1
InChIInChI=1S/C14H23N5O5/c1-18(3-7-22-2)13-15-11(12(20)21)16-14(17-13)24-10-6-19-4-8-23-9-5-19/h3-10H2,1-2H3,(H,20,21)
InChIKeyNYTRNCNOIIYZMN-UHFFFAOYSA-N
MW341.37 g/mol
LogP-0.64
Rot. Bonds9

About 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid

4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid (PubChem CID 68933241) has the molecular formula C14H23N5O5 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid
PubChem CID68933241
Molecular FormulaC14H23N5O5
Molecular Weight341.37 g/mol
Exact Mass341.17
IUPAC Name4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid
SMILESCOCCN(C)c1nc(OCCN2CCOCC2)nc(C(=O)O)n1
InChIInChI=1S/C14H23N5O5/c1-18(3-7-22-2)13-15-11(12(20)21)16-14(17-13)24-10-6-19-4-8-23-9-5-19/h3-10H2,1-2H3,(H,20,21)
InChIKeyNYTRNCNOIIYZMN-UHFFFAOYSA-N
XLogP-0.64
TPSA110.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid?
The IUPAC name of 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid (CID 68933241) is 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid.
What is the SMILES notation for 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid?
The canonical SMILES for 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid is COCCN(C)c1nc(OCCN2CCOCC2)nc(C(=O)O)n1.
What is the InChIKey of 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid?
The InChIKey is NYTRNCNOIIYZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O5/c1-18(3-7-22-2)13-15-11(12(20)21)16-14(17-13)24-10-6-19-4-8-23-9-5-19/h3-10H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid?
4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid has a molecular weight of 341.37 g/mol, XLogP of -0.64, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxyethyl(methyl)amino]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazine-2-carboxylic acid is sourced from PubChem (CID 68933241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).