ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate

C13H19N3O4 — CID 123952017

IUPACethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(N2CCOCC2)c1OCC
InChIInChI=1S/C13H19N3O4/c1-3-19-11-10(13(17)20-4-2)14-9-15-12(11)16-5-7-18-8-6-16/h9H,3-8H2,1-2H3
InChIKeyNFIKRAOGLQHUPY-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.89
Rot. Bonds5

About ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate

ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate (PubChem CID 123952017) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
PubChem CID123952017
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Nameethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ncnc(N2CCOCC2)c1OCC
InChIInChI=1S/C13H19N3O4/c1-3-19-11-10(13(17)20-4-2)14-9-15-12(11)16-5-7-18-8-6-16/h9H,3-8H2,1-2H3
InChIKeyNFIKRAOGLQHUPY-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxylate
CID 50875632
ethyl 2-(3,5-difluorophenyl)-5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295376
ethyl 4-morpholin-4-ylphthalazine-1-carboxylate
CID 42878220
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
ethyl 5-ethoxy-2-[4-[(4-fluorophenyl)carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 70975255
ethyl 5-morpholin-4-ylimidazo[1,5-a]quinazoline-3-carboxylate
CID 18953495
ethyl 5-ethoxy-6-morpholin-4-yl-2-[4-[(4-sulfamoylphenyl)carbamoylamino]phenyl]pyrimidine-4-carboxylate
CID 67298185
ethyl 5-morpholin-4-yltriazolo[1,5-a]quinazoline-3-carboxylate
CID 2816171
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 5-ethoxy-2-[4-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoylamino]phenyl]-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 67295483
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617
ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 134461219

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate (CID 123952017) is ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate is CCOC(=O)c1ncnc(N2CCOCC2)c1OCC.
What is the InChIKey of ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate?
The InChIKey is NFIKRAOGLQHUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-19-11-10(13(17)20-4-2)14-9-15-12(11)16-5-7-18-8-6-16/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate?
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 123952017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).