ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H22FN3O4 — CID 46571264

IUPACethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN2CCOC(c3ccc(F)cc3)C2)NC(=O)NC1
InChIInChI=1S/C18H22FN3O4/c1-2-25-17(23)14-9-20-18(24)21-15(14)10-22-7-8-26-16(11-22)12-3-5-13(19)6-4-12/h3-6,16H,2,7-11H2,1H3,(H2,20,21,24)
InChIKeyHXXKZJDZBBXWSM-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.33
Rot. Bonds5

About ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 46571264) has the molecular formula C18H22FN3O4 and a molecular weight of 363.39 g/mol. Its IUPAC name is ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID46571264
Molecular FormulaC18H22FN3O4
Molecular Weight363.39 g/mol
Exact Mass363.16
IUPAC Nameethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN2CCOC(c3ccc(F)cc3)C2)NC(=O)NC1
InChIInChI=1S/C18H22FN3O4/c1-2-25-17(23)14-9-20-18(24)21-15(14)10-22-7-8-26-16(11-22)12-3-5-13(19)6-4-12/h3-6,16H,2,7-11H2,1H3,(H2,20,21,24)
InChIKeyHXXKZJDZBBXWSM-UHFFFAOYSA-N
XLogP1.33
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 46571264) is ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN2CCOC(c3ccc(F)cc3)C2)NC(=O)NC1.
What is the InChIKey of ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is HXXKZJDZBBXWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4/c1-2-25-17(23)14-9-20-18(24)21-15(14)10-22-7-8-26-16(11-22)12-3-5-13(19)6-4-12/h3-6,16H,2,7-11H2,1H3,(H2,20,21,24).
What are the key properties of ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 363.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 46571264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).