3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

C9H12BrN5 — CID 58597145

IUPAC3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Br)c2c(N)ncnc21
InChIInChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13)
InChIKeySOSYGGKAIVNKLX-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.93
Rot. Bonds

About 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine

3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58597145) has the molecular formula C9H12BrN5 and a molecular weight of 270.13 g/mol. Its IUPAC name is 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58597145
Molecular FormulaC9H12BrN5
Molecular Weight270.13 g/mol
Exact Mass269.03
IUPAC Name3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Br)c2c(N)ncnc21
InChIInChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13)
InChIKeySOSYGGKAIVNKLX-UHFFFAOYSA-N
XLogP1.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine (CID 58597145) is 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(Br)c2c(N)ncnc21.
What is the InChIKey of 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SOSYGGKAIVNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13).
What are the key properties of 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine?
3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 270.13 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58597145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).