6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione

C13H12N2O4 — CID 750201

IUPAC6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione
SMILESCOc1cc(=O)[nH]c(=O)n1C(=O)Cc1ccccc1
InChIInChI=1S/C13H12N2O4/c1-19-12-8-10(16)14-13(18)15(12)11(17)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16,18)
InChIKeyXLWKRKZCLXLKAC-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.43
Rot. Bonds3

About 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione

6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione (PubChem CID 750201) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione
PubChem CID750201
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione
SMILESCOc1cc(=O)[nH]c(=O)n1C(=O)Cc1ccccc1
InChIInChI=1S/C13H12N2O4/c1-19-12-8-10(16)14-13(18)15(12)11(17)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16,18)
InChIKeyXLWKRKZCLXLKAC-UHFFFAOYSA-N
XLogP0.43
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Phenacemide
CID 4753
5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 23648513
5-Phenyluracil
CID 287110
6-Chloro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648518
6-Fluoro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648527
N-hexyl-2,4-dioxo-5-phenyl-pyrimidine-1-carboxamide
CID 71654890
6-Chloro-5-(3,5-dimethylphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648519
6-Bromo-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648528
6-Methyl-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13740570
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 2148457
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-phenylpropanamide
CID 2148465
5-Phenyl-6-(pyrrolidin-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648529

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione (CID 750201) is 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione is COc1cc(=O)[nH]c(=O)n1C(=O)Cc1ccccc1.
What is the InChIKey of 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione?
The InChIKey is XLWKRKZCLXLKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-19-12-8-10(16)14-13(18)15(12)11(17)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16,18).
What are the key properties of 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione?
6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione has a molecular weight of 260.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-phenylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 750201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).