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

C11H15N5O2 — CID 14378496

IUPAC[(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2C1C[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?/m0/s1
InChIKeyPYJIWOQTJHPDAK-WPZUCAASSA-N
MW249.27 g/mol
LogP-0.43
Rot. Bonds3

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

[(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol (PubChem CID 14378496) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
PubChem CID14378496
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name[(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
SMILESNc1ncnc2c1ncn2C1C[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?/m0/s1
InChIKeyPYJIWOQTJHPDAK-WPZUCAASSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
The IUPAC name of [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol (CID 14378496) is [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol.
What is the SMILES notation for [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
The canonical SMILES for [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol is Nc1ncnc2c1ncn2C1C[C@@H](CO)[C@@H]1CO.
What is the InChIKey of [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
The InChIKey is PYJIWOQTJHPDAK-WPZUCAASSA-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?/m0/s1.
What are the key properties of [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol?
[(1R,2S)-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 [(1R,2S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol is sourced from PubChem (CID 14378496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).