N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide

C₁₅H₁₇BrN₄O — CID 89172260

About N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide

N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 89172260) has the molecular formula C₁₅H₁₇BrN₄O and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
• PubChem CID: 89172260
• Molecular Formula: C₁₅H₁₇BrN₄O
• Molecular Weight: 349.23 g/mol
• Exact Mass: 348.06
• IUPAC Name: N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
• SMILES: CC(C)(C)C(=O)Nc1c(N)cc(Br)cc1-c1ncccn1
• InChI: InChI=1S/C15H17BrN4O/c1-15(2,3)14(21)20-12-10(7-9(16)8-11(12)17)13-18-5-4-6-19-13/h4-8H,17H2,1-3H3,(H,20,21)
• InChIKey: HHFNNTICBCDLHN-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 80.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.23
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?

The IUPAC name of N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide (CID 89172260) is N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide.

What is the SMILES notation for N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?

The canonical SMILES for N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(N)cc(Br)cc1-c1ncccn1.

What is the InChIKey of N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?

The InChIKey is HHFNNTICBCDLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-15(2,3)14(21)20-12-10(7-9(16)8-11(12)17)13-18-5-4-6-19-13/h4-8H,17H2,1-3H3,(H,20,21).

What are the key properties of N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide?

N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 349.23 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 89172260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 89172260 — identifiers, structure, computed properties (public domain)

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