2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

C14H14BrN3O — CID 885027

IUPAC2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrN3O/c1-9-7-10(2)17-14(16-9)18-13(19)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyXRPGLKBHEKUWRQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide

2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (PubChem CID 885027) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
PubChem CID885027
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
SMILESCc1cc(C)nc(NC(=O)Cc2ccc(Br)cc2)n1
InChIInChI=1S/C14H14BrN3O/c1-9-7-10(2)17-14(16-9)18-13(19)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyXRPGLKBHEKUWRQ-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide (CID 885027) is 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is Cc1cc(C)nc(NC(=O)Cc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
The InChIKey is XRPGLKBHEKUWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-9-7-10(2)17-14(16-9)18-13(19)8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide?
2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide has a molecular weight of 320.19 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide is sourced from PubChem (CID 885027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).