[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol

C11H15N5O2 — CID 10562568

IUPAC[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@H](CO)[C@@H]1CO
InChIInChI=1S/C11H15N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(8)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,8+/m1/s1
InChIKeyPYJIWOQTJHPDAK-CSMHCCOUSA-N
MW249.27 g/mol
LogP-0.43
Rot. Bonds3

About [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol

[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol (PubChem CID 10562568) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
PubChem CID10562568
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@H](CO)[C@@H]1CO
InChIInChI=1S/C11H15N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(8)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,8+/m1/s1
InChIKeyPYJIWOQTJHPDAK-CSMHCCOUSA-N
XLogP-0.43
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
CID 102087244
[3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl (4-fluorophenyl) hydrogen phosphate
CID 19018865
[(1R,2R,3R,4R)-4-(6-aminopurin-9-yl)-2,3-bis(phenylmethoxy)cyclopentyl]methanol
CID 10433651
2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one;[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 136603529
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methyl 1-methyl-4H-pyridine-3-carboxylate
CID 67843774
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
The IUPAC name of [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol (CID 10562568) is [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol.
What is the SMILES notation for [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
The canonical SMILES for [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol is Nc1ncnc2c1ncn2[C@H]1C[C@H](CO)[C@@H]1CO.
What is the InChIKey of [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
The InChIKey is PYJIWOQTJHPDAK-CSMHCCOUSA-N. The full InChI is InChI=1S/C11H15N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)8-1-6(2-17)7(8)3-18/h4-8,17-18H,1-3H2,(H2,12,13,14)/t6-,7+,8+/m1/s1.
What are the key properties of [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol has a molecular weight of 249.27 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol is sourced from PubChem (CID 10562568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).