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

C20H20N2O4 — CID 42648007

IUPAC1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2ccccc2)c1
InChIInChI=1S/C20H20N2O4/c1-25-17-7-8-18(16(14-17)13-15-5-3-2-4-6-15)26-12-11-22-10-9-19(23)21-20(22)24/h2-10,14H,11-13H2,1H3,(H,21,23,24)
InChIKeyRNAPKDLCQYIOTB-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.21
Rot. Bonds7

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

1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione (PubChem CID 42648007) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione
PubChem CID42648007
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione
SMILESCOc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2ccccc2)c1
InChIInChI=1S/C20H20N2O4/c1-25-17-7-8-18(16(14-17)13-15-5-3-2-4-6-15)26-12-11-22-10-9-19(23)21-20(22)24/h2-10,14H,11-13H2,1H3,(H,21,23,24)
InChIKeyRNAPKDLCQYIOTB-UHFFFAOYSA-N
XLogP2.21
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione (CID 42648007) is 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione is COc1ccc(OCCn2ccc(=O)[nH]c2=O)c(Cc2ccccc2)c1.
What is the InChIKey of 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione?
The InChIKey is RNAPKDLCQYIOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-25-17-7-8-18(16(14-17)13-15-5-3-2-4-6-15)26-12-11-22-10-9-19(23)21-20(22)24/h2-10,14H,11-13H2,1H3,(H,21,23,24).
What are the key properties of 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione?
1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-benzyl-4-methoxyphenoxy)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 42648007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).