[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol

C11H13ClN4O — CID 10264247

IUPAC[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol
SMILESOC[C@H]1CCC[C@@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C11H13ClN4O/c12-10-9-11(14-5-13-10)16(6-15-9)8-3-1-2-7(8)4-17/h5-8,17H,1-4H2/t7-,8+/m1/s1
InChIKeyDLYNIZJWOQRQQX-SFYZADRCSA-N
MW252.70 g/mol
LogP1.81
Rot. Bonds2

About [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol

[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol (PubChem CID 10264247) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol
PubChem CID10264247
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol
SMILESOC[C@H]1CCC[C@@H]1n1cnc2c(Cl)ncnc21
InChIInChI=1S/C11H13ClN4O/c12-10-9-11(14-5-13-10)16(6-15-9)8-3-1-2-7(8)4-17/h5-8,17H,1-4H2/t7-,8+/m1/s1
InChIKeyDLYNIZJWOQRQQX-SFYZADRCSA-N
XLogP1.81
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol?
The IUPAC name of [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol (CID 10264247) is [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol?
The canonical SMILES for [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol is OC[C@H]1CCC[C@@H]1n1cnc2c(Cl)ncnc21.
What is the InChIKey of [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol?
The InChIKey is DLYNIZJWOQRQQX-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-10-9-11(14-5-13-10)16(6-15-9)8-3-1-2-7(8)4-17/h5-8,17H,1-4H2/t7-,8+/m1/s1.
What are the key properties of [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol?
[(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(6-chloropurin-9-yl)cyclopentyl]methanol is sourced from PubChem (CID 10264247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).