ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate

C13H19N3O4 — CID 4089312

IUPACethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
SMILESCCOC(=O)COc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19N3O4/c1-3-19-12(17)9-20-11-8-10(2)14-13(15-11)16-4-6-18-7-5-16/h8H,3-7,9H2,1-2H3
InChIKeyZVMZTMSHJLCHEU-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.56
Rot. Bonds5

About ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate

ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate (PubChem CID 4089312) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
PubChem CID4089312
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
SMILESCCOC(=O)COc1cc(C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H19N3O4/c1-3-19-12(17)9-20-11-8-10(2)14-13(15-11)16-4-6-18-7-5-16/h8H,3-7,9H2,1-2H3
InChIKeyZVMZTMSHJLCHEU-UHFFFAOYSA-N
XLogP0.56
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 1480862
methyl 2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]acetate
CID 115973733
1-[1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]ethanamine
CID 112634894
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
4-[4-[(3,4-difluorophenyl)methoxy]-6-methylpyrimidin-2-yl]morpholine
CID 95923309
1-(4-ethoxy-6-methylpyrimidin-2-yl)piperidin-4-ol
CID 3228712
ethyl 2-[[1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 20895441
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95291866
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
ethyl 2-[[1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 39841695
ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
CID 126635968
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95308710

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate (CID 4089312) is ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate is CCOC(=O)COc1cc(C)nc(N2CCOCC2)n1.
What is the InChIKey of ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate?
The InChIKey is ZVMZTMSHJLCHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-19-12(17)9-20-11-8-10(2)14-13(15-11)16-4-6-18-7-5-16/h8H,3-7,9H2,1-2H3.
What are the key properties of ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate?
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate has a molecular weight of 281.31 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate is sourced from PubChem (CID 4089312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).