5-amino-2-bromo-N-pyrimidin-5-ylbenzamide

C11H9BrN4O — CID 107587335

IUPAC5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
SMILESNc1ccc(Br)c(C(=O)Nc2cncnc2)c1
InChIInChI=1S/C11H9BrN4O/c12-10-2-1-7(13)3-9(10)11(17)16-8-4-14-6-15-5-8/h1-6H,13H2,(H,16,17)
InChIKeyKUCKLRNWRVNKIE-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.07
Rot. Bonds2

About 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide

5-amino-2-bromo-N-pyrimidin-5-ylbenzamide (PubChem CID 107587335) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
PubChem CID107587335
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
SMILESNc1ccc(Br)c(C(=O)Nc2cncnc2)c1
InChIInChI=1S/C11H9BrN4O/c12-10-2-1-7(13)3-9(10)11(17)16-8-4-14-6-15-5-8/h1-6H,13H2,(H,16,17)
InChIKeyKUCKLRNWRVNKIE-UHFFFAOYSA-N
XLogP2.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-5-methoxy-N-pyrimidin-5-ylbenzamide
CID 104856860
2-amino-N-pyrimidin-5-ylbenzamide
CID 107587397
5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-amino-2-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367733
5-amino-2-bromo-N-[4-(difluoromethylsulfanyl)phenyl]benzamide
CID 115297076
5-bromo-2-fluoro-N-pyrimidin-5-ylbenzamide
CID 104856789
5-amino-2-bromo-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114386548
5-amino-2-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819398
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
2-bromo-5-fluoro-N-pyridin-3-ylbenzamide
CID 24699857

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide (CID 107587335) is 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide is Nc1ccc(Br)c(C(=O)Nc2cncnc2)c1.
What is the InChIKey of 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide?
The InChIKey is KUCKLRNWRVNKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-10-2-1-7(13)3-9(10)11(17)16-8-4-14-6-15-5-8/h1-6H,13H2,(H,16,17).
What are the key properties of 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide?
5-amino-2-bromo-N-pyrimidin-5-ylbenzamide has a molecular weight of 293.12 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107587335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).