2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol

C18H25N5O2 — CID 167988704

IUPAC2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol
SMILESOC1(Cn2cnc3c(N4CCOCC4)ncnc32)CC2CCC1CC2
InChIInChI=1S/C18H25N5O2/c24-18(9-13-1-3-14(18)4-2-13)10-23-12-21-15-16(19-11-20-17(15)23)22-5-7-25-8-6-22/h11-14,24H,1-10H2
InChIKeyXENYQTMBCUHSFP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.60
Rot. Bonds3

About 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol

2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol (PubChem CID 167988704) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol.

Molecular Properties

Compound Name2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol
PubChem CID167988704
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol
SMILESOC1(Cn2cnc3c(N4CCOCC4)ncnc32)CC2CCC1CC2
InChIInChI=1S/C18H25N5O2/c24-18(9-13-1-3-14(18)4-2-13)10-23-12-21-15-16(19-11-20-17(15)23)22-5-7-25-8-6-22/h11-14,24H,1-10H2
InChIKeyXENYQTMBCUHSFP-UHFFFAOYSA-N
XLogP1.60
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol?
The IUPAC name of 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol (CID 167988704) is 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol.
What is the SMILES notation for 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol?
The canonical SMILES for 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol is OC1(Cn2cnc3c(N4CCOCC4)ncnc32)CC2CCC1CC2.
What is the InChIKey of 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol?
The InChIKey is XENYQTMBCUHSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(9-13-1-3-14(18)4-2-13)10-23-12-21-15-16(19-11-20-17(15)23)22-5-7-25-8-6-22/h11-14,24H,1-10H2.
What are the key properties of 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol?
2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol has a molecular weight of 343.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-morpholin-4-ylpurin-9-yl)methyl]bicyclo[2.2.2]octan-2-ol is sourced from PubChem (CID 167988704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).