1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

C13H14N2O3 — CID 112598309

IUPAC1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCc1ccccc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-3-9-6-4-5-7-10(9)15-12(17)8(2)11(16)14-13(15)18/h4-7,17H,3H2,1-2H3,(H,14,16,18)
InChIKeyCANVHRJIAVSHEI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.10
Rot. Bonds2

About 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione

1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112598309) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112598309
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCCc1ccccc1-n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-3-9-6-4-5-7-10(9)15-12(17)8(2)11(16)14-13(15)18/h4-7,17H,3H2,1-2H3,(H,14,16,18)
InChIKeyCANVHRJIAVSHEI-UHFFFAOYSA-N
XLogP1.10
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598193
6-hydroxy-5-methyl-1-(2-propan-2-ylphenyl)pyrimidine-2,4-dione
CID 112598911
6-hydroxy-1-(3-iodo-2-methylphenyl)-5-methylpyrimidine-2,4-dione
CID 114258109
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
6-hydroxy-5-methyl-1-naphthalen-2-ylpyrimidine-2,4-dione
CID 115947092
1-(5-fluoro-2-methylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598629
1-(2-chloro-4-fluorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598213
6-hydroxy-5-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 115947931
1-(5-bromo-2-chlorophenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600514
6-hydroxy-5-methyl-1-(2,3,5-trifluorophenyl)pyrimidine-2,4-dione
CID 112600489
1-(2,3-dimethylphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598553
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112598309) is 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is CCc1ccccc1-n1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is CANVHRJIAVSHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-9-6-4-5-7-10(9)15-12(17)8(2)11(16)14-13(15)18/h4-7,17H,3H2,1-2H3,(H,14,16,18).
What are the key properties of 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112598309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).