1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H18N6 — CID 71226198

IUPAC1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C12H18N6/c13-11-10-8-16-18(12(10)15-9-14-11)7-6-17-4-2-1-3-5-17/h8-9H,1-7H2,(H2,13,14,15)
InChIKeyNVCNWRHNHYPOQM-UHFFFAOYSA-N
MW246.32 g/mol
LogP0.89
Rot. Bonds3

About 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 71226198) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID71226198
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2CCN1CCCCC1
InChIInChI=1S/C12H18N6/c13-11-10-8-16-18(12(10)15-9-14-11)7-6-17-4-2-1-3-5-17/h8-9H,1-7H2,(H2,13,14,15)
InChIKeyNVCNWRHNHYPOQM-UHFFFAOYSA-N
XLogP0.89
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 71226198) is 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2CCN1CCCCC1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NVCNWRHNHYPOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c13-11-10-8-16-18(12(10)15-9-14-11)7-6-17-4-2-1-3-5-17/h8-9H,1-7H2,(H2,13,14,15).
What are the key properties of 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 246.32 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71226198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).