[3-(6-chloropurin-9-yl)cyclobutyl]methanol

C10H11ClN4O — CID 14781912

IUPAC[3-(6-chloropurin-9-yl)cyclobutyl]methanol
SMILESOCC1CC(n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C10H11ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)7-1-6(2-7)3-16/h4-7,16H,1-3H2
InChIKeyOIJQWGBHIFWQMP-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.42
Rot. Bonds2

About [3-(6-chloropurin-9-yl)cyclobutyl]methanol

[3-(6-chloropurin-9-yl)cyclobutyl]methanol (PubChem CID 14781912) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is [3-(6-chloropurin-9-yl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-(6-chloropurin-9-yl)cyclobutyl]methanol
PubChem CID14781912
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name[3-(6-chloropurin-9-yl)cyclobutyl]methanol
SMILESOCC1CC(n2cnc3c(Cl)ncnc32)C1
InChIInChI=1S/C10H11ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)7-1-6(2-7)3-16/h4-7,16H,1-3H2
InChIKeyOIJQWGBHIFWQMP-UHFFFAOYSA-N
XLogP1.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(6-chloropurin-9-yl)cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-(6-chloropurin-9-yl)-2-(hydroxymethyl)cyclopentan-1-ol
CID 87802918
(1R,2R,3S,5S)-2-(6-chloropurin-9-yl)-3,5-bis(hydroxymethyl)cyclopentan-1-ol
CID 101423148
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
6-chloro-9-(3-methylcyclopentyl)purine
CID 171628994
[(2S,4R)-4-(6-chloropurin-9-yl)-1,3-oxathiolan-2-yl]methanol
CID 54345493
3-(6-chloropurin-9-yl)-1-(hydroxymethyl)bicyclo[3.2.1]octan-8-ol
CID 134844933
(1S,2S,4S)-4-(6-chloropurin-9-yl)-2-(diethoxyphosphorylmethoxy)cyclopentan-1-ol
CID 10835091
[(2R,3S)-2-(6-chloropurin-9-yl)thiolan-3-yl]methanol
CID 10468389
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
4-(6-chloropurin-9-yl)cyclopent-2-en-1-ol
CID 10999010
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
[(1S,2S,4R,5R)-4-(6-chloropurin-9-yl)-3-oxabicyclo[3.2.0]hept-6-en-2-yl]methanol
CID 53375978

Frequently Asked Questions

What is the IUPAC name of [3-(6-chloropurin-9-yl)cyclobutyl]methanol?
The IUPAC name of [3-(6-chloropurin-9-yl)cyclobutyl]methanol (CID 14781912) is [3-(6-chloropurin-9-yl)cyclobutyl]methanol.
What is the SMILES notation for [3-(6-chloropurin-9-yl)cyclobutyl]methanol?
The canonical SMILES for [3-(6-chloropurin-9-yl)cyclobutyl]methanol is OCC1CC(n2cnc3c(Cl)ncnc32)C1.
What is the InChIKey of [3-(6-chloropurin-9-yl)cyclobutyl]methanol?
The InChIKey is OIJQWGBHIFWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c11-9-8-10(13-4-12-9)15(5-14-8)7-1-6(2-7)3-16/h4-7,16H,1-3H2.
What are the key properties of [3-(6-chloropurin-9-yl)cyclobutyl]methanol?
[3-(6-chloropurin-9-yl)cyclobutyl]methanol has a molecular weight of 238.68 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-chloropurin-9-yl)cyclobutyl]methanol is sourced from PubChem (CID 14781912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).