1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine

C12H17N5 — CID 96599519

IUPAC1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2cnn(C)c2n1
InChIInChI=1S/C12H17N5/c1-8-15-11(9-3-5-13-6-4-9)10-7-14-17(2)12(10)16-8/h7,9,13H,3-6H2,1-2H3
InChIKeyBAOWUYNRQAVPPT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.14
Rot. Bonds1

About 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine

1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine (PubChem CID 96599519) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
PubChem CID96599519
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine
SMILESCc1nc(C2CCNCC2)c2cnn(C)c2n1
InChIInChI=1S/C12H17N5/c1-8-15-11(9-3-5-13-6-4-9)10-7-14-17(2)12(10)16-8/h7,9,13H,3-6H2,1-2H3
InChIKeyBAOWUYNRQAVPPT-UHFFFAOYSA-N
XLogP1.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine (CID 96599519) is 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine is Cc1nc(C2CCNCC2)c2cnn(C)c2n1.
What is the InChIKey of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
The InChIKey is BAOWUYNRQAVPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-15-11(9-3-5-13-6-4-9)10-7-14-17(2)12(10)16-8/h7,9,13H,3-6H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine?
1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine has a molecular weight of 231.30 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-piperidin-4-ylpyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 96599519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).