5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione

C15H16N2O3 — CID 155564426

IUPAC5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC=C(c1ccc(OC)cc1)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H16N2O3/c1-10(11-5-7-12(20-4)8-6-11)13-9-16(2)15(19)17(3)14(13)18/h5-9H,1H2,2-4H3
InChIKeyASFXFBUFXPQNCL-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.15
Rot. Bonds3

About 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione

5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 155564426) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID155564426
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC=C(c1ccc(OC)cc1)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C15H16N2O3/c1-10(11-5-7-12(20-4)8-6-11)13-9-16(2)15(19)17(3)14(13)18/h5-9H,1H2,2-4H3
InChIKeyASFXFBUFXPQNCL-UHFFFAOYSA-N
XLogP1.15
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione (CID 155564426) is 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione is C=C(c1ccc(OC)cc1)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is ASFXFBUFXPQNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(11-5-7-12(20-4)8-6-11)13-9-16(2)15(19)17(3)14(13)18/h5-9H,1H2,2-4H3.
What are the key properties of 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 272.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methoxyphenyl)ethenyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 155564426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).