1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C20H22ClN3O6 — CID 3865987

IUPAC1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cc(Cl)ccc1OCC1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C20H22ClN3O6/c1-12-8-24(20(28)22-19(12)27)10-18(26)23-5-6-29-15(9-23)11-30-17-4-3-14(21)7-16(17)13(2)25/h3-4,7-8,15H,5-6,9-11H2,1-2H3,(H,22,27,28)
InChIKeyUTHWZKLUEIKONJ-UHFFFAOYSA-N
MW435.86 g/mol
LogP1.01
Rot. Bonds6

About 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 3865987) has the molecular formula C20H22ClN3O6 and a molecular weight of 435.86 g/mol. Its IUPAC name is 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID3865987
Molecular FormulaC20H22ClN3O6
Molecular Weight435.86 g/mol
Exact Mass435.12
IUPAC Name1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cc(Cl)ccc1OCC1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CCO1
InChIInChI=1S/C20H22ClN3O6/c1-12-8-24(20(28)22-19(12)27)10-18(26)23-5-6-29-15(9-23)11-30-17-4-3-14(21)7-16(17)13(2)25/h3-4,7-8,15H,5-6,9-11H2,1-2H3,(H,22,27,28)
InChIKeyUTHWZKLUEIKONJ-UHFFFAOYSA-N
XLogP1.01
TPSA110.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione 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 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 3865987) is 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is CC(=O)c1cc(Cl)ccc1OCC1CN(C(=O)Cn2cc(C)c(=O)[nH]c2=O)CCO1.
What is the InChIKey of 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UTHWZKLUEIKONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O6/c1-12-8-24(20(28)22-19(12)27)10-18(26)23-5-6-29-15(9-23)11-30-17-4-3-14(21)7-16(17)13(2)25/h3-4,7-8,15H,5-6,9-11H2,1-2H3,(H,22,27,28).
What are the key properties of 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 435.86 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-acetyl-4-chlorophenoxy)methyl]morpholin-4-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 3865987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).