3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C8H10BrN5 — CID 71255631

IUPAC3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(Br)c2c(N)ncnc21
InChIInChI=1S/C8H10BrN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyLXNOMFPYYIOZQW-UHFFFAOYSA-N
MW256.11 g/mol
LogP1.75
Rot. Bonds1

About 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 71255631) has the molecular formula C8H10BrN5 and a molecular weight of 256.11 g/mol. Its IUPAC name is 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID71255631
Molecular FormulaC8H10BrN5
Molecular Weight256.11 g/mol
Exact Mass255.01
IUPAC Name3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)n1nc(Br)c2c(N)ncnc21
InChIInChI=1S/C8H10BrN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyLXNOMFPYYIOZQW-UHFFFAOYSA-N
XLogP1.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 71255631) is 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(Br)c2c(N)ncnc21.
What is the InChIKey of 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LXNOMFPYYIOZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5/c1-4(2)14-8-5(6(9)13-14)7(10)11-3-12-8/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 256.11 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71255631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).