3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine

C6H4BrClN4 — CID 76847027

IUPAC3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(Cl)c2c(Br)[nH]nc2n1
InChIInChI=1S/C6H4BrClN4/c1-2-9-5(8)3-4(7)11-12-6(3)10-2/h1H3,(H,9,10,11,12)
InChIKeyLZXVEZIBXLYVRF-UHFFFAOYSA-N
MW247.48 g/mol
LogP2.08
Rot. Bonds

About 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine

3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 76847027) has the molecular formula C6H4BrClN4 and a molecular weight of 247.48 g/mol. Its IUPAC name is 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID76847027
Molecular FormulaC6H4BrClN4
Molecular Weight247.48 g/mol
Exact Mass245.93
IUPAC Name3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1nc(Cl)c2c(Br)[nH]nc2n1
InChIInChI=1S/C6H4BrClN4/c1-2-9-5(8)3-4(7)11-12-6(3)10-2/h1H3,(H,9,10,11,12)
InChIKeyLZXVEZIBXLYVRF-UHFFFAOYSA-N
XLogP2.08
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.48
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine 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

3-Bromo-1H-Pyrazolo(3,4-D)Pyrimidin-4-Amine
CID 340230
3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CID 340228
3-Bromo-4-chloro-1-methyl-1H-pyrazolo(3,4-d)pyrimidine
CID 47003144
6-Amino-3-bromo-4-chloropyrazolo[3,4-D]pyrimidine
CID 51341934
3,4,6-trichloro-1H-pyrazolo(3,4-d)pyrimidine
CID 92133085
3-Bromo-1H-pyrazolo(3,4-d)pyrimidine-4,6-diamine
CID 615116
3-bromo-4-chloro-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 122164349
4,6-Dichloro-3-fluoro-1H-pyrazolo[3,4-d]pyrimidine
CID 129319260
4-Chloro-3-fluoro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
CID 129968572
3-bromo-4-chloro-1-methyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidine
CID 171157571
3-Chloro-1h-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 18451679
3-chloro-1H-pyrazolo[3,4-d]pyriMidin-4-aMine
CID 18451684

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine (CID 76847027) is 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine is Cc1nc(Cl)c2c(Br)[nH]nc2n1.
What is the InChIKey of 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is LZXVEZIBXLYVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN4/c1-2-9-5(8)3-4(7)11-12-6(3)10-2/h1H3,(H,9,10,11,12).
What are the key properties of 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine?
3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 247.48 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-6-methyl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 76847027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).