2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide

C13H13N3O3 — CID 4798576

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)14-12(18)8-16-7-6-11(17)15-13(16)19/h2-7H,8H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyFVRNGYCQLZFQSH-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.48
Rot. Bonds3

About 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide (PubChem CID 4798576) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
PubChem CID4798576
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)14-12(18)8-16-7-6-11(17)15-13(16)19/h2-7H,8H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyFVRNGYCQLZFQSH-UHFFFAOYSA-N
XLogP0.48
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide (CID 4798576) is 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is FVRNGYCQLZFQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)14-12(18)8-16-7-6-11(17)15-13(16)19/h2-7H,8H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 259.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4798576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).