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

C14H22N6O4 — CID 86586295

IUPACacetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(=O)O.CC(=O)O.Nc1ncnc2c1cnn2C1CCNCC1
InChIInChI=1S/C10H14N6.2C2H4O2/c11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;2*1-2(3)4/h5-7,12H,1-4H2,(H2,11,13,14);2*1H3,(H,3,4)
InChIKeyOWFXUHPESVSDBD-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.51
Rot. Bonds1

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

acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86586295) has the molecular formula C14H22N6O4 and a molecular weight of 338.37 g/mol. Its IUPAC name is acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameacetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86586295
Molecular FormulaC14H22N6O4
Molecular Weight338.37 g/mol
Exact Mass338.17
IUPAC Nameacetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(=O)O.CC(=O)O.Nc1ncnc2c1cnn2C1CCNCC1
InChIInChI=1S/C10H14N6.2C2H4O2/c11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;2*1-2(3)4/h5-7,12H,1-4H2,(H2,11,13,14);2*1H3,(H,3,4)
InChIKeyOWFXUHPESVSDBD-UHFFFAOYSA-N
XLogP0.51
TPSA156.25 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86586295) is acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(=O)O.CC(=O)O.Nc1ncnc2c1cnn2C1CCNCC1.
What is the InChIKey of acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OWFXUHPESVSDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6.2C2H4O2/c11-9-8-5-15-16(10(8)14-6-13-9)7-1-3-12-4-2-7;2*1-2(3)4/h5-7,12H,1-4H2,(H2,11,13,14);2*1H3,(H,3,4).
What are the key properties of acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.37 g/mol, XLogP of 0.51, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86586295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).