N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide

C16H19N3O2 — CID 122355854

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
SMILESCCOc1nc(C)c(NC(=O)c2ccccc2C)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-5-21-16-17-11(3)14(12(4)18-16)19-15(20)13-9-7-6-8-10(13)2/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeyOVQOLOGXVAJHFZ-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.05
Rot. Bonds4

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide (PubChem CID 122355854) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
PubChem CID122355854
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide
SMILESCCOc1nc(C)c(NC(=O)c2ccccc2C)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-5-21-16-17-11(3)14(12(4)18-16)19-15(20)13-9-7-6-8-10(13)2/h6-9H,5H2,1-4H3,(H,19,20)
InChIKeyOVQOLOGXVAJHFZ-UHFFFAOYSA-N
XLogP3.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)naphthalene-1-carboxamide
CID 122355985
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-2-methylbenzamide
CID 104818159
N-(2,4-diethoxypyrimidin-5-yl)-2-methylbenzamide
CID 122304252
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(3,4-diethoxyphenyl)-2-methylbenzamide
CID 26212680
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyltriazole-4-carboxamide
CID 122356030
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
CID 122356065
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 122355973
2-ethoxy-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78838433

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide (CID 122355854) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide is CCOc1nc(C)c(NC(=O)c2ccccc2C)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide?
The InChIKey is OVQOLOGXVAJHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-5-21-16-17-11(3)14(12(4)18-16)19-15(20)13-9-7-6-8-10(13)2/h6-9H,5H2,1-4H3,(H,19,20).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylbenzamide is sourced from PubChem (CID 122355854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).