5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine

C20H24N8O2 — CID 58514291

IUPAC5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CC4CCC(C3)O4)nc3c2cnn3C2CCOCC2)cn1
InChIInChI=1S/C20H24N8O2/c21-19-22-7-12(8-23-19)17-16-9-24-28(13-3-5-29-6-4-13)18(16)26-20(25-17)27-10-14-1-2-15(11-27)30-14/h7-9,13-15H,1-6,10-11H2,(H2,21,22,23)
InChIKeyVVMNWBOHWPFSFG-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.58
Rot. Bonds3

About 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 58514291) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID58514291
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2nc(N3CC4CCC(C3)O4)nc3c2cnn3C2CCOCC2)cn1
InChIInChI=1S/C20H24N8O2/c21-19-22-7-12(8-23-19)17-16-9-24-28(13-3-5-29-6-4-13)18(16)26-20(25-17)27-10-14-1-2-15(11-27)30-14/h7-9,13-15H,1-6,10-11H2,(H2,21,22,23)
InChIKeyVVMNWBOHWPFSFG-UHFFFAOYSA-N
XLogP1.58
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 58514291) is 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2nc(N3CC4CCC(C3)O4)nc3c2cnn3C2CCOCC2)cn1.
What is the InChIKey of 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is VVMNWBOHWPFSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c21-19-22-7-12(8-23-19)17-16-9-24-28(13-3-5-29-6-4-13)18(16)26-20(25-17)27-10-14-1-2-15(11-27)30-14/h7-9,13-15H,1-6,10-11H2,(H2,21,22,23).
What are the key properties of 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 408.47 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 58514291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).