2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide

C14H14BrN3O3 — CID 107626172

IUPAC2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccc(C)cc2Br)n1
InChIInChI=1S/C14H14BrN3O3/c1-8-4-5-9(10(15)6-8)13(19)18-14-16-11(20-2)7-12(17-14)21-3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyWXRXQWYKNXCOHV-UHFFFAOYSA-N
MW352.19 g/mol
LogP2.82
Rot. Bonds4

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

2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide (PubChem CID 107626172) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
PubChem CID107626172
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
SMILESCOc1cc(OC)nc(NC(=O)c2ccc(C)cc2Br)n1
InChIInChI=1S/C14H14BrN3O3/c1-8-4-5-9(10(15)6-8)13(19)18-14-16-11(20-2)7-12(17-14)21-3/h4-7H,1-3H3,(H,16,17,18,19)
InChIKeyWXRXQWYKNXCOHV-UHFFFAOYSA-N
XLogP2.82
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
2-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methylbenzamide
CID 103414573
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-6-fluorobenzamide
CID 107626160
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
N-(4,6-dimethoxypyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107689719

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide?
The IUPAC name of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide (CID 107626172) is 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide is COc1cc(OC)nc(NC(=O)c2ccc(C)cc2Br)n1.
What is the InChIKey of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide?
The InChIKey is WXRXQWYKNXCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-8-4-5-9(10(15)6-8)13(19)18-14-16-11(20-2)7-12(17-14)21-3/h4-7H,1-3H3,(H,16,17,18,19).
What are the key properties of 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide?
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide has a molecular weight of 352.19 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 107626172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).