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

C13H13N3O3 — CID 110698301

IUPACN-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H13N3O3/c1-2-8-3-5-9(6-4-8)14-12(18)10-7-11(17)16-13(19)15-10/h3-7H,2H2,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyHMVMKWMUBDPZAB-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.88
Rot. Bonds3

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

N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 110698301) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID110698301
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC NameN-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C13H13N3O3/c1-2-8-3-5-9(6-4-8)14-12(18)10-7-11(17)16-13(19)15-10/h3-7H,2H2,1H3,(H,14,18)(H2,15,16,17,19)
InChIKeyHMVMKWMUBDPZAB-UHFFFAOYSA-N
XLogP0.88
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43601896
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-(4-ethylphenyl)benzamide
CID 774063
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60805045
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 110698301) is N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is HMVMKWMUBDPZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-2-8-3-5-9(6-4-8)14-12(18)10-7-11(17)16-13(19)15-10/h3-7H,2H2,1H3,(H,14,18)(H2,15,16,17,19).
What are the key properties of N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).