N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

C13H13N3O2 — CID 110857850

IUPACN-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O2/c1-2-9-3-5-10(6-4-9)16-13(18)11-7-14-8-15-12(11)17/h3-8H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyRUOOZUQBUFCCBV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.58
Rot. Bonds3

About N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110857850) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110857850
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2cnc[nH]c2=O)cc1
InChIInChI=1S/C13H13N3O2/c1-2-9-3-5-10(6-4-9)16-13(18)11-7-14-8-15-12(11)17/h3-8H,2H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyRUOOZUQBUFCCBV-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-(3,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857507
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
4-(ethylamino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 81235788
N-(2,5-dimethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110857335
N-(4-ethylphenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 37345022
N-(4-ethylphenyl)-1H-indole-3-carboxamide;molecular hydrogen
CID 159635618
N-(4-octylphenyl)-1H-imidazole-5-carboxamide
CID 177471524
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455
N-(4-ethylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 110857774
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 110857850) is N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2cnc[nH]c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RUOOZUQBUFCCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-9-3-5-10(6-4-9)16-13(18)11-7-14-8-15-12(11)17/h3-8H,2H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110857850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).