N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C13H12N4O4 — CID 110698333

IUPACN-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H12N4O4/c1-7(18)14-8-2-4-9(5-3-8)15-12(20)10-6-11(19)17-13(21)16-10/h2-6H,1H3,(H,14,18)(H,15,20)(H2,16,17,19,21)
InChIKeyNJBXGZKBVQGWDR-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.27
Rot. Bonds3

About N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 110698333) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID110698333
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC NameN-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H12N4O4/c1-7(18)14-8-2-4-9(5-3-8)15-12(20)10-6-11(19)17-13(21)16-10/h2-6H,1H3,(H,14,18)(H,15,20)(H2,16,17,19,21)
InChIKeyNJBXGZKBVQGWDR-UHFFFAOYSA-N
XLogP0.27
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64792716
N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 46989148
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43601896
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
CID 110698347
N-(2-bromo-5-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 82757582
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 113433788

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 110698333) is N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NJBXGZKBVQGWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-7(18)14-8-2-4-9(5-3-8)15-12(20)10-6-11(19)17-13(21)16-10/h2-6H,1H3,(H,14,18)(H,15,20)(H2,16,17,19,21).
What are the key properties of N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 0.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).