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

C14H16N2O4 — CID 60734792

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCOc1ccc(OCCn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-10-9-16(14(18)15-13(10)17)7-8-20-12-5-3-11(19-2)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyWOMDLNYDVBYBRF-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.93
Rot. Bonds5

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

1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 60734792) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID60734792
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCOc1ccc(OCCn2cc(C)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-10-9-16(14(18)15-13(10)17)7-8-20-12-5-3-11(19-2)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,17,18)
InChIKeyWOMDLNYDVBYBRF-UHFFFAOYSA-N
XLogP0.93
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione (CID 60734792) is 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione is COc1ccc(OCCn2cc(C)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is WOMDLNYDVBYBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10-9-16(14(18)15-13(10)17)7-8-20-12-5-3-11(19-2)4-6-12/h3-6,9H,7-8H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione?
1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 276.29 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 60734792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).