(2R)-1-(6-chloropurin-9-yl)propan-2-ol

C8H9ClN4O — CID 500844

IUPAC(2R)-1-(6-chloropurin-9-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C8H9ClN4O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3/t5-/m1/s1
InChIKeyLVNBNKMMTVWRJO-RXMQYKEDSA-N
MW212.64 g/mol
LogP0.86
Rot. Bonds2

About (2R)-1-(6-chloropurin-9-yl)propan-2-ol

(2R)-1-(6-chloropurin-9-yl)propan-2-ol (PubChem CID 500844) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is (2R)-1-(6-chloropurin-9-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(6-chloropurin-9-yl)propan-2-ol
PubChem CID500844
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name(2R)-1-(6-chloropurin-9-yl)propan-2-ol
SMILESC[C@@H](O)Cn1cnc2c(Cl)ncnc21
InChIInChI=1S/C8H9ClN4O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3/t5-/m1/s1
InChIKeyLVNBNKMMTVWRJO-RXMQYKEDSA-N
XLogP0.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(6-chloropurin-9-yl)propan-2-ol 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 (2R)-1-(6-chloropurin-9-yl)propan-2-ol?
The IUPAC name of (2R)-1-(6-chloropurin-9-yl)propan-2-ol (CID 500844) is (2R)-1-(6-chloropurin-9-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(6-chloropurin-9-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(6-chloropurin-9-yl)propan-2-ol is C[C@@H](O)Cn1cnc2c(Cl)ncnc21.
What is the InChIKey of (2R)-1-(6-chloropurin-9-yl)propan-2-ol?
The InChIKey is LVNBNKMMTVWRJO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-(6-chloropurin-9-yl)propan-2-ol?
(2R)-1-(6-chloropurin-9-yl)propan-2-ol has a molecular weight of 212.64 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-chloropurin-9-yl)propan-2-ol is sourced from PubChem (CID 500844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).