1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C14H16N2O5 — CID 115946249

IUPAC1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O5/c1-4-11-12(17)15-14(19)16(13(11)18)8-5-9(20-2)7-10(6-8)21-3/h5-7,18H,4H2,1-3H3,(H,15,17,19)
InChIKeyAKOSUSMVVIVIJM-UHFFFAOYSA-N
MW292.29 g/mol
LogP0.81
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 115946249) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID115946249
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O5/c1-4-11-12(17)15-14(19)16(13(11)18)8-5-9(20-2)7-10(6-8)21-3/h5-7,18H,4H2,1-3H3,(H,15,17,19)
InChIKeyAKOSUSMVVIVIJM-UHFFFAOYSA-N
XLogP0.81
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598234
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
1-(1,3-benzodioxol-5-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946521
5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 4907666
1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 107812190
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928
5-ethyl-1-(1-ethylpyrazol-4-yl)-6-hydroxypyrimidine-2,4-dione
CID 112599407
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 115946249) is 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is AKOSUSMVVIVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-4-11-12(17)15-14(19)16(13(11)18)8-5-9(20-2)7-10(6-8)21-3/h5-7,18H,4H2,1-3H3,(H,15,17,19).
What are the key properties of 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 292.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 115946249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).