3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide

C14H14BrN3O2 — CID 802329

IUPAC3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-8-6-9(2)17-14(16-8)18-13(19)10-4-5-12(20-3)11(15)7-10/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyQUOMUFQKWFEFOT-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.12
Rot. Bonds3

About 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide

3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide (PubChem CID 802329) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
PubChem CID802329
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-8-6-9(2)17-14(16-8)18-13(19)10-4-5-12(20-3)11(15)7-10/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyQUOMUFQKWFEFOT-UHFFFAOYSA-N
XLogP3.12
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
3-bromo-4-methoxy-N-(2-methylphenyl)benzamide
CID 798203
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methoxybenzamide
CID 79729860
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N'-methylbenzohydrazide
CID 116846856
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403
3-bromo-N-(4-bromo-2-iodophenyl)-4-methoxybenzamide
CID 3325521
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-4-methoxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62814066

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide (CID 802329) is 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1Br.
What is the InChIKey of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide?
The InChIKey is QUOMUFQKWFEFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-8-6-9(2)17-14(16-8)18-13(19)10-4-5-12(20-3)11(15)7-10/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide?
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide has a molecular weight of 336.19 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 802329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).