1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

C12H10BrN5 — CID 63276712

IUPAC1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2Cc1ccccc1Br
InChIInChI=1S/C12H10BrN5/c13-10-4-2-1-3-8(10)6-18-12-9(5-17-18)11(14)15-7-16-12/h1-5,7H,6H2,(H2,14,15,16)
InChIKeyFLTMQPYGTAKISJ-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.22
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 63276712) has the molecular formula C12H10BrN5 and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID63276712
Molecular FormulaC12H10BrN5
Molecular Weight304.15 g/mol
Exact Mass303.01
IUPAC Name1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2Cc1ccccc1Br
InChIInChI=1S/C12H10BrN5/c13-10-4-2-1-3-8(10)6-18-12-9(5-17-18)11(14)15-7-16-12/h1-5,7H,6H2,(H2,14,15,16)
InChIKeyFLTMQPYGTAKISJ-UHFFFAOYSA-N
XLogP2.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 63276712) is 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FLTMQPYGTAKISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN5/c13-10-4-2-1-3-8(10)6-18-12-9(5-17-18)11(14)15-7-16-12/h1-5,7H,6H2,(H2,14,15,16).
What are the key properties of 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 304.15 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 63276712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).