3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

C10H13BrN6 — CID 121360467

IUPAC3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)nn2[C@@H]1CCCNC1
InChIInChI=1S/C10H13BrN6/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H2,12,14,15)/t6-/m1/s1
InChIKeyKKXJSUAAPOQJSI-ZCFIWIBFSA-N
MW297.16 g/mol
LogP1.10
Rot. Bonds1

About 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine

3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 121360467) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID121360467
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC Name3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)nn2[C@@H]1CCCNC1
InChIInChI=1S/C10H13BrN6/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H2,12,14,15)/t6-/m1/s1
InChIKeyKKXJSUAAPOQJSI-ZCFIWIBFSA-N
XLogP1.10
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 121360467) is 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)nn2[C@@H]1CCCNC1.
What is the InChIKey of 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is KKXJSUAAPOQJSI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13BrN6/c11-8-7-9(12)14-5-15-10(7)17(16-8)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H2,12,14,15)/t6-/m1/s1.
What are the key properties of 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 297.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3R)-piperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 121360467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).