2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate

C17H26N4O5 — CID 154109144

IUPAC2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOCCOC(=O)c1cnc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C17H26N4O5/c1-2-23-11-12-26-16(22)14-13-18-17(21-5-9-25-10-6-21)19-15(14)20-3-7-24-8-4-20/h13H,2-12H2,1H3
InChIKeyNUGMIVWUTBSCLJ-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.34
Rot. Bonds7

About 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate

2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 154109144) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
PubChem CID154109144
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOCCOC(=O)c1cnc(N2CCOCC2)nc1N1CCOCC1
InChIInChI=1S/C17H26N4O5/c1-2-23-11-12-26-16(22)14-13-18-17(21-5-9-25-10-6-21)19-15(14)20-3-7-24-8-4-20/h13H,2-12H2,1H3
InChIKeyNUGMIVWUTBSCLJ-UHFFFAOYSA-N
XLogP0.34
TPSA86.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

pentyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate
CID 154138667
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
2-morpholin-4-yl-4-pentylpyrimidine-5-carboxamide
CID 68789631
ethyl 4-methyl-2-thiomorpholin-4-ylpyrimidine-5-carboxylate
CID 46397674
4-amino-N-[2-(2-ethoxyethoxy)ethyl]-2-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 165049448
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 75538628
ethyl 2-(azepan-1-yl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 102973232
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
CID 163397208
ethyl 4-(difluoromethyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 102973247
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate (CID 154109144) is 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate is CCOCCOC(=O)c1cnc(N2CCOCC2)nc1N1CCOCC1.
What is the InChIKey of 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is NUGMIVWUTBSCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-2-23-11-12-26-16(22)14-13-18-17(21-5-9-25-10-6-21)19-15(14)20-3-7-24-8-4-20/h13H,2-12H2,1H3.
What are the key properties of 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate?
2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 0.34, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2,4-dimorpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 154109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).