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

C12H11ClN2O3 — CID 718039

IUPAC1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C12H11ClN2O3/c13-9-1-3-10(4-2-9)18-8-7-15-6-5-11(16)14-12(15)17/h1-6H,7-8H2,(H,14,16,17)
InChIKeyYESRZZCXOVAJTI-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.27
Rot. Bonds4

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

1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 718039) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
PubChem CID718039
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione
SMILESO=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C12H11ClN2O3/c13-9-1-3-10(4-2-9)18-8-7-15-6-5-11(16)14-12(15)17/h1-6H,7-8H2,(H,14,16,17)
InChIKeyYESRZZCXOVAJTI-UHFFFAOYSA-N
XLogP1.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione (CID 718039) is 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione is O=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is YESRZZCXOVAJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-1-3-10(4-2-9)18-8-7-15-6-5-11(16)14-12(15)17/h1-6H,7-8H2,(H,14,16,17).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione?
1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 718039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).