2-chloro-9-ethylpurin-6-amine

C7H8ClN5 — CID 23273738

IUPAC2-chloro-9-ethylpurin-6-amine
SMILESCCn1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C7H8ClN5/c1-2-13-3-10-4-5(9)11-7(8)12-6(4)13/h3H,2H2,1H3,(H2,9,11,12)
InChIKeyBNDFRDOCFOFUTK-UHFFFAOYSA-N
MW197.63 g/mol
LogP1.08
Rot. Bonds1

About 2-chloro-9-ethylpurin-6-amine

2-chloro-9-ethylpurin-6-amine (PubChem CID 23273738) has the molecular formula C7H8ClN5 and a molecular weight of 197.63 g/mol. Its IUPAC name is 2-chloro-9-ethylpurin-6-amine.

Molecular Properties

Compound Name2-chloro-9-ethylpurin-6-amine
PubChem CID23273738
Molecular FormulaC7H8ClN5
Molecular Weight197.63 g/mol
Exact Mass197.05
IUPAC Name2-chloro-9-ethylpurin-6-amine
SMILESCCn1cnc2c(N)nc(Cl)nc21
InChIInChI=1S/C7H8ClN5/c1-2-13-3-10-4-5(9)11-7(8)12-6(4)13/h3H,2H2,1H3,(H2,9,11,12)
InChIKeyBNDFRDOCFOFUTK-UHFFFAOYSA-N
XLogP1.08
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.63
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-9-ethylpurin-6-amine 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-chloro-9-ethylpurin-6-amine?
The IUPAC name of 2-chloro-9-ethylpurin-6-amine (CID 23273738) is 2-chloro-9-ethylpurin-6-amine.
What is the SMILES notation for 2-chloro-9-ethylpurin-6-amine?
The canonical SMILES for 2-chloro-9-ethylpurin-6-amine is CCn1cnc2c(N)nc(Cl)nc21.
What is the InChIKey of 2-chloro-9-ethylpurin-6-amine?
The InChIKey is BNDFRDOCFOFUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5/c1-2-13-3-10-4-5(9)11-7(8)12-6(4)13/h3H,2H2,1H3,(H2,9,11,12).
What are the key properties of 2-chloro-9-ethylpurin-6-amine?
2-chloro-9-ethylpurin-6-amine has a molecular weight of 197.63 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-ethylpurin-6-amine is sourced from PubChem (CID 23273738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).