2-ethyl-3-pyrimidin-5-ylbenzamide

C13H13N3O — CID 166652738

IUPAC2-ethyl-3-pyrimidin-5-ylbenzamide
SMILESCCc1c(C(N)=O)cccc1-c1cncnc1
InChIInChI=1S/C13H13N3O/c1-2-10-11(9-6-15-8-16-7-9)4-3-5-12(10)13(14)17/h3-8H,2H2,1H3,(H2,14,17)
InChIKeyVLLQFPZIUHRKMK-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.80
Rot. Bonds3

About 2-ethyl-3-pyrimidin-5-ylbenzamide

2-ethyl-3-pyrimidin-5-ylbenzamide (PubChem CID 166652738) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-ethyl-3-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-ethyl-3-pyrimidin-5-ylbenzamide
PubChem CID166652738
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name2-ethyl-3-pyrimidin-5-ylbenzamide
SMILESCCc1c(C(N)=O)cccc1-c1cncnc1
InChIInChI=1S/C13H13N3O/c1-2-10-11(9-6-15-8-16-7-9)4-3-5-12(10)13(14)17/h3-8H,2H2,1H3,(H2,14,17)
InChIKeyVLLQFPZIUHRKMK-UHFFFAOYSA-N
XLogP1.80
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-ethylbenzamide
CID 68986880
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
2,3-diethylbenzamide;hydrofluoride
CID 175203586
2-ethyl-3-(1H-indol-6-yl)benzamide
CID 68637689
2-ethyl-3-[2-(trifluoromethyl)-3-pyridinyl]benzamide
CID 126655093
5-(3-ethyl-2-fluorophenyl)pyrimidine
CID 126670993
3-amino-2-ethylbenzamide;fluorobenzene
CID 174889008
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
2-ethyl-3-pentoxybenzamide
CID 67228177
3-amino-2-ethylbenzoic acid
CID 18185344
3-bromo-2-propylbenzamide
CID 69458474
3-pyridin-3-yl-2-pyrrol-1-ylbenzamide
CID 174660376

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-ethyl-3-pyrimidin-5-ylbenzamide (CID 166652738) is 2-ethyl-3-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-ethyl-3-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-ethyl-3-pyrimidin-5-ylbenzamide is CCc1c(C(N)=O)cccc1-c1cncnc1.
What is the InChIKey of 2-ethyl-3-pyrimidin-5-ylbenzamide?
The InChIKey is VLLQFPZIUHRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-2-10-11(9-6-15-8-16-7-9)4-3-5-12(10)13(14)17/h3-8H,2H2,1H3,(H2,14,17).
What are the key properties of 2-ethyl-3-pyrimidin-5-ylbenzamide?
2-ethyl-3-pyrimidin-5-ylbenzamide has a molecular weight of 227.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 166652738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).