6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine

C12H10BrN5 — CID 24894507

IUPAC6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccc(-c2cnc3c(Br)cnn3c2N)cc1
InChIInChI=1S/C12H10BrN5/c13-10-6-17-18-11(15)9(5-16-12(10)18)7-1-3-8(14)4-2-7/h1-6H,14-15H2
InChIKeyLXQULVNWIZYFAO-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.32
Rot. Bonds1

About 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine

6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24894507) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24894507
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1ccc(-c2cnc3c(Br)cnn3c2N)cc1
InChIInChI=1S/C12H10BrN5/c13-10-6-17-18-11(15)9(5-16-12(10)18)7-1-3-8(14)4-2-7/h1-6H,14-15H2
InChIKeyLXQULVNWIZYFAO-UHFFFAOYSA-N
XLogP2.32
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine 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

4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184

Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine (CID 24894507) is 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine is Nc1ccc(-c2cnc3c(Br)cnn3c2N)cc1.
What is the InChIKey of 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LXQULVNWIZYFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-10-6-17-18-11(15)9(5-16-12(10)18)7-1-3-8(14)4-2-7/h1-6H,14-15H2.
What are the key properties of 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 304.15 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-3-bromopyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).