1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione

C13H13ClN2O3 — CID 718036

IUPAC1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13ClN2O3/c1-9-8-16(13(18)15-12(9)17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyGEURDUMIQHKOSO-UHFFFAOYSA-N
MW280.71 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione

1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 718036) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID718036
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H13ClN2O3/c1-9-8-16(13(18)15-12(9)17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,17,18)
InChIKeyGEURDUMIQHKOSO-UHFFFAOYSA-N
XLogP1.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 51.58
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]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione (CID 718036) is 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CCOc2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GEURDUMIQHKOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-9-8-16(13(18)15-12(9)17)6-7-19-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,17,18).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
1-[2-(4-chlorophenoxy)ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 280.71 g/mol, XLogP of 1.58, 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]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 718036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).