4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline

C12H9BrN4 — CID 71743370

IUPAC4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
SMILESNc1ccc(-c2cnc3c(Br)cnn3c2)cc1
InChIInChI=1S/C12H9BrN4/c13-11-6-16-17-7-9(5-15-12(11)17)8-1-3-10(14)4-2-8/h1-7H,14H2
InChIKeyDKMJFGNFBFLNGW-UHFFFAOYSA-N
MW289.14 g/mol
LogP2.74
Rot. Bonds1

About 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline

4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline (PubChem CID 71743370) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline.

Molecular Properties

Compound Name4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
PubChem CID71743370
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC Name4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline
SMILESNc1ccc(-c2cnc3c(Br)cnn3c2)cc1
InChIInChI=1S/C12H9BrN4/c13-11-6-16-17-7-9(5-15-12(11)17)8-1-3-10(14)4-2-8/h1-7H,14H2
InChIKeyDKMJFGNFBFLNGW-UHFFFAOYSA-N
XLogP2.74
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline 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-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline?
The IUPAC name of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline (CID 71743370) is 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline.
What is the SMILES notation for 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline?
The canonical SMILES for 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline is Nc1ccc(-c2cnc3c(Br)cnn3c2)cc1.
What is the InChIKey of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline?
The InChIKey is DKMJFGNFBFLNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-11-6-16-17-7-9(5-15-12(11)17)8-1-3-10(14)4-2-8/h1-7H,14H2.
What are the key properties of 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline?
4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline has a molecular weight of 289.14 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromopyrazolo[1,5-a]pyrimidin-6-yl)aniline is sourced from PubChem (CID 71743370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).