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

C10H13N5O — CID 15332075

IUPAC[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@H]1CO
InChIInChI=1S/C10H13N5O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(7)3-16/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7-/m0/s1
InChIKeyCNCYBSHSXAUTJK-BQBZGAKWSA-N
MW219.25 g/mol
LogP0.35
Rot. Bonds2

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

[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol (PubChem CID 15332075) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
PubChem CID15332075
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1CC[C@H]1CO
InChIInChI=1S/C10H13N5O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(7)3-16/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7-/m0/s1
InChIKeyCNCYBSHSXAUTJK-BQBZGAKWSA-N
XLogP0.35
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
[(3R,4R,5S)-5-(6-aminopurin-9-yl)-4-(hydroxymethyl)thiolan-3-yl]methanol
CID 102087244
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol?
The IUPAC name of [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol (CID 15332075) is [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol.
What is the SMILES notation for [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol?
The canonical SMILES for [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol is Nc1ncnc2c1ncn2[C@H]1CC[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol?
The InChIKey is CNCYBSHSXAUTJK-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H13N5O/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(7)3-16/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7-/m0/s1.
What are the key properties of [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol?
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol has a molecular weight of 219.25 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol is sourced from PubChem (CID 15332075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).