1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine

C13H20N6O — CID 70828542

IUPAC1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(OC2CCN(C)CC2)c2c(N)ncnc21
InChIInChI=1S/C13H20N6O/c1-3-19-12-10(11(14)15-8-16-12)13(17-19)20-9-4-6-18(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUCPICCRZCYYKAA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds3

About 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine

1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 70828542) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID70828542
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(OC2CCN(C)CC2)c2c(N)ncnc21
InChIInChI=1S/C13H20N6O/c1-3-19-12-10(11(14)15-8-16-12)13(17-19)20-9-4-6-18(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyUCPICCRZCYYKAA-UHFFFAOYSA-N
XLogP0.90
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine (CID 70828542) is 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine is CCn1nc(OC2CCN(C)CC2)c2c(N)ncnc21.
What is the InChIKey of 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is UCPICCRZCYYKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-19-12-10(11(14)15-8-16-12)13(17-19)20-9-4-6-18(2)7-5-9/h8-9H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine?
1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 276.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70828542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).