1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

C10H14N6 — CID 67517602

IUPAC1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C1CCCNC1
InChIInChI=1S/C10H14N6/c11-9-8-5-15-16(10(8)14-6-13-9)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)
InChIKeyHLOWGQUGVMJJBH-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.33
Rot. Bonds1

About 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine

1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 67517602) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID67517602
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2C1CCCNC1
InChIInChI=1S/C10H14N6/c11-9-8-5-15-16(10(8)14-6-13-9)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14)
InChIKeyHLOWGQUGVMJJBH-UHFFFAOYSA-N
XLogP0.33
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 67517602) is 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2C1CCCNC1.
What is the InChIKey of 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HLOWGQUGVMJJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-9-8-5-15-16(10(8)14-6-13-9)7-2-1-3-12-4-7/h5-7,12H,1-4H2,(H2,11,13,14).
What are the key properties of 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 218.26 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 67517602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).