3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

C13H12BrN3O3 — CID 698520

IUPAC3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1
InChIInChI=1S/C13H12BrN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyFOFWQMUXAVEPQT-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.51
Rot. Bonds4

About 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide

3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide (PubChem CID 698520) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
PubChem CID698520
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1
InChIInChI=1S/C13H12BrN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16,17,18)
InChIKeyFOFWQMUXAVEPQT-UHFFFAOYSA-N
XLogP2.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethoxypyrimidin-4-yl)benzamide
CID 3867896
3-bromo-N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3635765
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
N-[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]-3-methoxybenzamide
CID 3643787
3-bromo-N-[3-[(4-methoxybenzoyl)amino]phenyl]benzamide
CID 118722824
3-bromo-N-[6-(4-methoxyanilino)-3-pyridinyl]benzamide
CID 113019497
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
3-bromo-N-[6-(tert-butylamino)pyridazin-3-yl]benzamide
CID 113044253
3-bromo-N-[4-[4-[(3-bromobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 4030037
3-bromo-N-(2-methyltriazol-4-yl)benzamide
CID 112535280
3-bromo-N-(2,4-diethoxypyrimidin-5-yl)benzamide
CID 122304593

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The IUPAC name of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide (CID 698520) is 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The canonical SMILES for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1.
What is the InChIKey of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
The InChIKey is FOFWQMUXAVEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-19-11-7-10(16-13(17-11)20-2)15-12(18)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H,15,16,17,18).
What are the key properties of 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide?
3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide has a molecular weight of 338.16 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,6-dimethoxypyrimidin-4-yl)benzamide is sourced from PubChem (CID 698520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).