6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine

C15H21N5 — CID 124872852

IUPAC6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
SMILESCCn1cnc2c(N3C[C@@H]4CCCCC[C@@H]43)ncnc21
InChIInChI=1S/C15H21N5/c1-2-19-10-18-13-14(19)16-9-17-15(13)20-8-11-6-4-3-5-7-12(11)20/h9-12H,2-8H2,1H3/t11-,12-/m0/s1
InChIKeyKANRRKFUGYZILY-RYUDHWBXSA-N
MW271.37 g/mol
LogP2.62
Rot. Bonds2

About 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine

6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine (PubChem CID 124872852) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine.

Molecular Properties

Compound Name6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
PubChem CID124872852
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine
SMILESCCn1cnc2c(N3C[C@@H]4CCCCC[C@@H]43)ncnc21
InChIInChI=1S/C15H21N5/c1-2-19-10-18-13-14(19)16-9-17-15(13)20-8-11-6-4-3-5-7-12(11)20/h9-12H,2-8H2,1H3/t11-,12-/m0/s1
InChIKeyKANRRKFUGYZILY-RYUDHWBXSA-N
XLogP2.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(ethoxymethyl)piperidin-1-yl]-9-ethylpurine
CID 122152956
6-(2,4-diethylpiperazin-1-yl)-9-ethylpurine
CID 126818343
6-[5-(9-ethylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 155980586
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
CID 124735733
(4aR,7aS)-1-(9-ethylpurin-6-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one;hydroiodide
CID 166207068
[(2S,4S)-1-(9-ethylpurin-6-yl)-4-fluoropyrrolidin-2-yl]methanol
CID 128979586
5-[[5-(9-ethylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344571
9-ethyl-6-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 126810476
9-ethyl-6-[(2R)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]purine
CID 125419058
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
N-[[1-(9-ethylpurin-6-yl)piperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 154736939
9-(cyclopropylmethyl)-6-piperidin-1-ylpurine
CID 10634902

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine?
The IUPAC name of 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine (CID 124872852) is 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine.
What is the SMILES notation for 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine?
The canonical SMILES for 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine is CCn1cnc2c(N3C[C@@H]4CCCCC[C@@H]43)ncnc21.
What is the InChIKey of 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine?
The InChIKey is KANRRKFUGYZILY-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-19-10-18-13-14(19)16-9-17-15(13)20-8-11-6-4-3-5-7-12(11)20/h9-12H,2-8H2,1H3/t11-,12-/m0/s1.
What are the key properties of 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine?
6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine has a molecular weight of 271.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,7S)-8-azabicyclo[5.2.0]nonan-8-yl]-9-ethylpurine is sourced from PubChem (CID 124872852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).