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

C14H16N2O3 — CID 112598557

IUPAC1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cccc(C)c2C)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-4-10-12(17)15-14(19)16(13(10)18)11-7-5-6-8(2)9(11)3/h5-7,18H,4H2,1-3H3,(H,15,17,19)
InChIKeyRSLAXLYMVHQILV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.41
Rot. Bonds2

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

1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598557) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112598557
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cccc(C)c2C)c(=O)[nH]c1=O
InChIInChI=1S/C14H16N2O3/c1-4-10-12(17)15-14(19)16(13(10)18)11-7-5-6-8(2)9(11)3/h5-7,18H,4H2,1-3H3,(H,15,17,19)
InChIKeyRSLAXLYMVHQILV-UHFFFAOYSA-N
XLogP1.41
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
5-ethyl-6-hydroxy-1-(2-methylphenyl)-2-sulfanylidenepyrimidin-4-one
CID 3904395
5-ethyl-1-(4-fluoro-2-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598321
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598309
1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598234
1-(2-bromo-4-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598976
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928
5-(benzyliminomethyl)-1-(2,3-dimethylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 1416482
1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
CID 66522750
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
1-(2,3-dimethylphenyl)-6-hydroxy-5-[(4-iodophenyl)iminomethyl]pyrimidine-2,4-dione
CID 135571552

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112598557) is 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2cccc(C)c2C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RSLAXLYMVHQILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-10-12(17)15-14(19)16(13(10)18)11-7-5-6-8(2)9(11)3/h5-7,18H,4H2,1-3H3,(H,15,17,19).
What are the key properties of 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 260.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).