ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate

C17H19ClN2O5 — CID 2982352

IUPACethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O
InChIInChI=1S/C17H19ClN2O5/c1-4-24-14(22)8-25-13-6-5-11(18)7-12(13)16-15(10(3)21)9(2)19-17(23)20-16/h5-7,16H,4,8H2,1-3H3,(H2,19,20,23)
InChIKeyCIUQZYGFLWIOOY-UHFFFAOYSA-N
MW366.80 g/mol
LogP2.50
Rot. Bonds6

About ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate

ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate (PubChem CID 2982352) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate
PubChem CID2982352
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Nameethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate
SMILESCCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O
InChIInChI=1S/C17H19ClN2O5/c1-4-24-14(22)8-25-13-6-5-11(18)7-12(13)16-15(10(3)21)9(2)19-17(23)20-16/h5-7,16H,4,8H2,1-3H3,(H2,19,20,23)
InChIKeyCIUQZYGFLWIOOY-UHFFFAOYSA-N
XLogP2.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate 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 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate?
The IUPAC name of ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate (CID 2982352) is ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate is CCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O.
What is the InChIKey of ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate?
The InChIKey is CIUQZYGFLWIOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c1-4-24-14(22)8-25-13-6-5-11(18)7-12(13)16-15(10(3)21)9(2)19-17(23)20-16/h5-7,16H,4,8H2,1-3H3,(H2,19,20,23).
What are the key properties of ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate?
ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate has a molecular weight of 366.80 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(5-acetyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl)-4-chlorophenoxy]acetate is sourced from PubChem (CID 2982352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).