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

C11H16N6 — CID 141177025

IUPAC1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2CCN1CCCC1
InChIInChI=1S/C11H16N6/c12-10-9-7-15-17(11(9)14-8-13-10)6-5-16-3-1-2-4-16/h7-8H,1-6H2,(H2,12,13,14)
InChIKeyDUIQVMDOFQDKLD-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.50
Rot. Bonds3

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

1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 141177025) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID141177025
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1cnn2CCN1CCCC1
InChIInChI=1S/C11H16N6/c12-10-9-7-15-17(11(9)14-8-13-10)6-5-16-3-1-2-4-16/h7-8H,1-6H2,(H2,12,13,14)
InChIKeyDUIQVMDOFQDKLD-UHFFFAOYSA-N
XLogP0.50
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71226198
1-[1-[2-(azepan-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-3-methylthiourea
CID 71487769
1-(2-piperidin-1-ylethyl)-4-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine
CID 144627248
4-(benzimidazol-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71226102
[1-[1-[2-(azepan-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]cyclopropyl]sulfanylurea
CID 175283694
1-ethyl-3-[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride
CID 71223167
1-[1-[2-(azepan-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-yl]-3-cyclopropylurea
CID 71223519
2,4-bis[1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]benzenesulfonamide
CID 175284331
1-propyl-3-[1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]urea;hydrochloride
CID 71223047
4-(3-phenylpyrrolidin-1-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71225996
4-(4-methoxy-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine;hydrochloride
CID 74767043
2-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)ethoxymethylphosphonic acid
CID 513623

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 141177025) is 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1cnn2CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DUIQVMDOFQDKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-10-9-7-15-17(11(9)14-8-13-10)6-5-16-3-1-2-4-16/h7-8H,1-6H2,(H2,12,13,14).
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 141177025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).