N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide

C13H11F2N3O3 — CID 71807571

IUPACN-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
SMILESCOc1ncc(NC(=O)c2c(F)cccc2F)c(OC)n1
InChIInChI=1S/C13H11F2N3O3/c1-20-12-9(6-16-13(18-12)21-2)17-11(19)10-7(14)4-3-5-8(10)15/h3-6H,1-2H3,(H,17,19)
InChIKeyGPMTWWONJDFZLQ-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.02
Rot. Bonds4

About N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide

N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide (PubChem CID 71807571) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
PubChem CID71807571
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide
SMILESCOc1ncc(NC(=O)c2c(F)cccc2F)c(OC)n1
InChIInChI=1S/C13H11F2N3O3/c1-20-12-9(6-16-13(18-12)21-2)17-11(19)10-7(14)4-3-5-8(10)15/h3-6H,1-2H3,(H,17,19)
InChIKeyGPMTWWONJDFZLQ-UHFFFAOYSA-N
XLogP2.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2,4-dimethoxypyrimidin-5-yl)benzamide
CID 122303930
5-chloro-N-(2,4-dimethoxypyrimidin-5-yl)-2-methoxybenzamide
CID 71807581
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064
N-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 172855459
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 122304021
N-(2,4-dimethoxypyrimidin-5-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 122304022
N-(2,4-dimethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122304078
N-(2,4-dimethoxypyrimidin-5-yl)-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122304066
N-(2,4-dimethoxypyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
CID 122304031
4-bromo-N-(2,4-dimethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122304110
N-(2,4-dimethoxypyrimidin-5-yl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 122304138
1-(5-chloro-2-methoxyphenyl)-3-(2,4-dimethoxypyrimidin-5-yl)urea
CID 122303962

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide (CID 71807571) is N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide is COc1ncc(NC(=O)c2c(F)cccc2F)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide?
The InChIKey is GPMTWWONJDFZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c1-20-12-9(6-16-13(18-12)21-2)17-11(19)10-7(14)4-3-5-8(10)15/h3-6H,1-2H3,(H,17,19).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide?
N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide has a molecular weight of 295.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)-2,6-difluorobenzamide is sourced from PubChem (CID 71807571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).