5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine

C20H26N8O — CID 53258965

IUPAC5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine
SMILESCCC(CC)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4CCC(C3)O4)nc21
InChIInChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
InChIKeyVZZGNDREIXJEAB-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.59
Rot. Bonds5

About 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine

5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine (PubChem CID 53258965) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine
PubChem CID53258965
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine
SMILESCCC(CC)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4CCC(C3)O4)nc21
InChIInChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23)
InChIKeyVZZGNDREIXJEAB-UHFFFAOYSA-N
XLogP2.59
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine (CID 53258965) is 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine is CCC(CC)n1cnc2c(-c3cnc(N)cn3)nc(N3CC4CCC(C3)O4)nc21.
What is the InChIKey of 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine?
The InChIKey is VZZGNDREIXJEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-3-12(4-2)28-11-24-18-17(15-7-23-16(21)8-22-15)25-20(26-19(18)28)27-9-13-5-6-14(10-27)29-13/h7-8,11-14H,3-6,9-10H2,1-2H3,(H2,21,23).
What are the key properties of 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine?
5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine has a molecular weight of 394.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-pentan-3-ylpurin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 53258965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).