1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione

C19H17ClN2O3 — CID 56925367

IUPAC1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2ccc(Cl)cc2Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H17ClN2O3/c20-16-6-7-17(15(13-16)12-14-4-2-1-3-5-14)25-11-10-22-9-8-18(23)21-19(22)24/h1-9,13H,10-12H2,(H,21,23,24)
InChIKeyJTSBWYAZDKVZTR-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.86
Rot. Bonds6

About 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione

1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 56925367) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
PubChem CID56925367
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2ccc(Cl)cc2Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H17ClN2O3/c20-16-6-7-17(15(13-16)12-14-4-2-1-3-5-14)25-11-10-22-9-8-18(23)21-19(22)24/h1-9,13H,10-12H2,(H,21,23,24)
InChIKeyJTSBWYAZDKVZTR-UHFFFAOYSA-N
XLogP2.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione (CID 56925367) is 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione is O=c1ccn(CCOc2ccc(Cl)cc2Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is JTSBWYAZDKVZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-16-6-7-17(15(13-16)12-14-4-2-1-3-5-14)25-11-10-22-9-8-18(23)21-19(22)24/h1-9,13H,10-12H2,(H,21,23,24).
What are the key properties of 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 356.81 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzyl-4-chlorophenoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56925367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).