2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid

C13H12N2O4 — CID 71816172

IUPAC2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccccc1
InChIInChI=1S/C13H12N2O4/c16-11-9(7-6-8-4-2-1-3-5-8)10(12(17)18)14-13(19)15-11/h1-5H,6-7H2,(H,17,18)(H2,14,15,16,19)
InChIKeyAKYNBWGDBBWTJA-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.55
Rot. Bonds4

About 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid

2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid (PubChem CID 71816172) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid
PubChem CID71816172
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccccc1
InChIInChI=1S/C13H12N2O4/c16-11-9(7-6-8-4-2-1-3-5-8)10(12(17)18)14-13(19)15-11/h1-5H,6-7H2,(H,17,18)(H2,14,15,16,19)
InChIKeyAKYNBWGDBBWTJA-UHFFFAOYSA-N
XLogP0.55
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-naphthalen-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 73010358
2-aminoethanol;5-[2-(4-ethylphenyl)ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134139256
2-aminoethanol;5-(2-naphthalen-2-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134157478
5-(2-isoquinolin-1-ylethyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134137429
2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134146963
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
5-hydroxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 91605826
benzene;2-phenylethylbenzene
CID 18982764
2-[5-amino-6-oxo-4-(2-phenylethyl)-1H-pyridin-3-yl]acetic acid
CID 70058157
5-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 100816951
5-ethyl-6-(4-phenylbutylamino)-1H-pyrimidine-2,4-dione
CID 10565219

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid (CID 71816172) is 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid is O=C(O)c1[nH]c(=O)[nH]c(=O)c1CCc1ccccc1.
What is the InChIKey of 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid?
The InChIKey is AKYNBWGDBBWTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11-9(7-6-8-4-2-1-3-5-8)10(12(17)18)14-13(19)15-11/h1-5H,6-7H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid?
2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-5-(2-phenylethyl)-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 71816172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).