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

C15H17BrN4O — CID 89172260

IUPACN-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(N)cc(Br)cc1-c1ncccn1
InChIInChI=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)
InChIKeyHHFNNTICBCDLHN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.47
Rot. Bonds2

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 NameN-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
PubChem CID89172260
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC NameN-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(N)cc(Br)cc1-c1ncccn1
InChIInChI=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)
InChIKeyHHFNNTICBCDLHN-UHFFFAOYSA-N
XLogP3.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).