2-(6-chloro-7H-purin-8-yl)propan-2-ol

C8H9ClN4O — CID 119092431

IUPAC2-(6-chloro-7H-purin-8-yl)propan-2-ol
SMILESCC(C)(O)c1nc2ncnc(Cl)c2[nH]1
InChIInChI=1S/C8H9ClN4O/c1-8(2,14)7-12-4-5(9)10-3-11-6(4)13-7/h3,14H,1-2H3,(H,10,11,12,13)
InChIKeyPABCDHAXSFKEOR-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.23
Rot. Bonds1

About 2-(6-chloro-7H-purin-8-yl)propan-2-ol

2-(6-chloro-7H-purin-8-yl)propan-2-ol (PubChem CID 119092431) has the molecular formula C8H9ClN4O and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-(6-chloro-7H-purin-8-yl)propan-2-ol.

Molecular Properties

Compound Name2-(6-chloro-7H-purin-8-yl)propan-2-ol
PubChem CID119092431
Molecular FormulaC8H9ClN4O
Molecular Weight212.64 g/mol
Exact Mass212.05
IUPAC Name2-(6-chloro-7H-purin-8-yl)propan-2-ol
SMILESCC(C)(O)c1nc2ncnc(Cl)c2[nH]1
InChIInChI=1S/C8H9ClN4O/c1-8(2,14)7-12-4-5(9)10-3-11-6(4)13-7/h3,14H,1-2H3,(H,10,11,12,13)
InChIKeyPABCDHAXSFKEOR-UHFFFAOYSA-N
XLogP1.23
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-7H-purin-8-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 2-(6-chloro-7H-purin-8-yl)propan-2-ol?
The IUPAC name of 2-(6-chloro-7H-purin-8-yl)propan-2-ol (CID 119092431) is 2-(6-chloro-7H-purin-8-yl)propan-2-ol.
What is the SMILES notation for 2-(6-chloro-7H-purin-8-yl)propan-2-ol?
The canonical SMILES for 2-(6-chloro-7H-purin-8-yl)propan-2-ol is CC(C)(O)c1nc2ncnc(Cl)c2[nH]1.
What is the InChIKey of 2-(6-chloro-7H-purin-8-yl)propan-2-ol?
The InChIKey is PABCDHAXSFKEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O/c1-8(2,14)7-12-4-5(9)10-3-11-6(4)13-7/h3,14H,1-2H3,(H,10,11,12,13).
What are the key properties of 2-(6-chloro-7H-purin-8-yl)propan-2-ol?
2-(6-chloro-7H-purin-8-yl)propan-2-ol has a molecular weight of 212.64 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-7H-purin-8-yl)propan-2-ol is sourced from PubChem (CID 119092431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).