[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone

C17H24N6O2 — CID 110126716

IUPAC[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone
SMILESNc1ncnc2c1ncn2[C@H]1CCN(C(=O)C2CCCC2)CC[C@@H]1O
InChIInChI=1S/C17H24N6O2/c18-15-14-16(20-9-19-15)23(10-21-14)12-5-7-22(8-6-13(12)24)17(25)11-3-1-2-4-11/h9-13,24H,1-8H2,(H2,18,19,20)/t12-,13-/m0/s1
InChIKeyZUUZOEDIQLAHEH-STQMWFEESA-N
MW344.42 g/mol
LogP1.12
Rot. Bonds2

About [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone

[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone (PubChem CID 110126716) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone
PubChem CID110126716
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone
SMILESNc1ncnc2c1ncn2[C@H]1CCN(C(=O)C2CCCC2)CC[C@@H]1O
InChIInChI=1S/C17H24N6O2/c18-15-14-16(20-9-19-15)23(10-21-14)12-5-7-22(8-6-13(12)24)17(25)11-3-1-2-4-11/h9-13,24H,1-8H2,(H2,18,19,20)/t12-,13-/m0/s1
InChIKeyZUUZOEDIQLAHEH-STQMWFEESA-N
XLogP1.12
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-piperidin-1-ylmethanone
CID 46875958
1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 110154054
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-[4-[(3-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 110155438
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
(2R)-2,6-diamino-1-[(3S,4S)-3-(6-aminopurin-9-yl)-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 133065213
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
N-[2-[(2S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-2-oxoethoxy]cyclopentanecarboxamide
CID 57097158

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone?
The IUPAC name of [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone (CID 110126716) is [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone?
The canonical SMILES for [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone is Nc1ncnc2c1ncn2[C@H]1CCN(C(=O)C2CCCC2)CC[C@@H]1O.
What is the InChIKey of [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone?
The InChIKey is ZUUZOEDIQLAHEH-STQMWFEESA-N. The full InChI is InChI=1S/C17H24N6O2/c18-15-14-16(20-9-19-15)23(10-21-14)12-5-7-22(8-6-13(12)24)17(25)11-3-1-2-4-11/h9-13,24H,1-8H2,(H2,18,19,20)/t12-,13-/m0/s1.
What are the key properties of [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone?
[(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone has a molecular weight of 344.42 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-4-(6-aminopurin-9-yl)-5-hydroxyazepan-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 110126716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).