N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide

C16H16F3N3O3 — CID 122356065

IUPACN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
SMILESCCOc1nc(C)c(NC(=O)c2cc(F)c(F)c(OC)c2F)c(C)n1
InChIInChI=1S/C16H16F3N3O3/c1-5-25-16-20-7(2)13(8(3)21-16)22-15(23)9-6-10(17)12(19)14(24-4)11(9)18/h6H,5H2,1-4H3,(H,22,23)
InChIKeyNIDXKSKGTCDROQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.17
Rot. Bonds5

About N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide

N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide (PubChem CID 122356065) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
PubChem CID122356065
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide
SMILESCCOc1nc(C)c(NC(=O)c2cc(F)c(F)c(OC)c2F)c(C)n1
InChIInChI=1S/C16H16F3N3O3/c1-5-25-16-20-7(2)13(8(3)21-16)22-15(23)9-6-10(17)12(19)14(24-4)11(9)18/h6H,5H2,1-4H3,(H,22,23)
InChIKeyNIDXKSKGTCDROQ-UHFFFAOYSA-N
XLogP3.17
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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-methylbenzamide
CID 122355854
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 122356048
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122355870
N-[2-(dimethylamino)pyrimidin-5-yl]-2,4,5-trifluoro-3-methoxybenzamide
CID 122298010
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-3,5-dinitrobenzamide
CID 122356187
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3,4,5-trimethoxybenzamide
CID 122303234
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
3-chloro-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)benzamide
CID 122355868
N-(4-bromophenyl)-2,4,5-trifluoro-3-methoxybenzamide
CID 91730460
2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300701

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide?
The IUPAC name of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide (CID 122356065) is N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide.
What is the SMILES notation for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide?
The canonical SMILES for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide is CCOc1nc(C)c(NC(=O)c2cc(F)c(F)c(OC)c2F)c(C)n1.
What is the InChIKey of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide?
The InChIKey is NIDXKSKGTCDROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-5-25-16-20-7(2)13(8(3)21-16)22-15(23)9-6-10(17)12(19)14(24-4)11(9)18/h6H,5H2,1-4H3,(H,22,23).
What are the key properties of N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide?
N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide has a molecular weight of 355.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2,4,5-trifluoro-3-methoxybenzamide is sourced from PubChem (CID 122356065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).