3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C5H3BrClN5 — CID 51341934

IUPAC3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(Cl)c2c(Br)[nH]nc2n1
InChIInChI=1S/C5H3BrClN5/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H3,8,9,10,11,12)
InChIKeyQOWUSMIVHAPTKO-UHFFFAOYSA-N
MW248.47 g/mol
LogP1.35
Rot. Bonds

About 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 51341934) has the molecular formula C5H3BrClN5 and a molecular weight of 248.47 g/mol. Its IUPAC name is 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
PubChem CID51341934
Molecular FormulaC5H3BrClN5
Molecular Weight248.47 g/mol
Exact Mass246.93
IUPAC Name3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
SMILESNc1nc(Cl)c2c(Br)[nH]nc2n1
InChIInChI=1S/C5H3BrClN5/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H3,8,9,10,11,12)
InChIKeyQOWUSMIVHAPTKO-UHFFFAOYSA-N
XLogP1.35
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.47
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The IUPAC name of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 51341934) is 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine is Nc1nc(Cl)c2c(Br)[nH]nc2n1.
What is the InChIKey of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
The InChIKey is QOWUSMIVHAPTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrClN5/c6-2-1-3(7)9-5(8)10-4(1)12-11-2/h(H3,8,9,10,11,12).
What are the key properties of 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?
3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 248.47 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 51341934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).