2,6-dichloro-7H-purine

C5H2Cl2N4 — CID 10750289

IUPAC2,6-dichloro-7H-purine
SMILESClc1[15n]c(Cl)c2[15nH][13cH]nc2[15n]1
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)/i1+1,8+1,10+1,11+1
InChIKeyRMFWVOLULURGJI-QWLJVSGLSA-N
MW192.98 g/mol
LogP1.66
Rot. Bonds

About 2,6-dichloro-7H-purine

2,6-dichloro-7H-purine (PubChem CID 10750289) has the molecular formula C5H2Cl2N4 and a molecular weight of 192.98 g/mol. Its IUPAC name is 2,6-dichloro-7H-purine.

Molecular Properties

Compound Name2,6-dichloro-7H-purine
PubChem CID10750289
Molecular FormulaC5H2Cl2N4
Molecular Weight192.98 g/mol
Exact Mass191.96
IUPAC Name2,6-dichloro-7H-purine
SMILESClc1[15n]c(Cl)c2[15nH][13cH]nc2[15n]1
InChIInChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)/i1+1,8+1,10+1,11+1
InChIKeyRMFWVOLULURGJI-QWLJVSGLSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.98
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-7H-purine 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

potassium;2,6-dichloro-7H-purine;hydride
CID 173320369
2,6-dichloro-7H-purine;tetrabutylazanium
CID 87468349
benzoic acid;2,6-dichloro-7H-purine
CID 155059371
6-chloro-2-nitroso-7H-purine
CID 174878246
6-chloro-7H-purine
CID 53349102
6-chloro-7H-purine
CID 5359277
2-chloro-6,9-dimethylpurine;2-chloro-6-methyl-7H-purine;2,6-dichloro-7H-purine;2,6,9-trimethylpurine
CID 157170667
2-chloro-N-(3-nitrophenyl)-7H-purin-6-amine;2,6-dichloro-7H-purine
CID 159255333
2,6-dichloro-9-[(4-methoxyphenyl)methyl]purine;2,6-dichloro-7H-purine
CID 158330316
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
2-chloro-N-propyl-7H-purin-6-amine
CID 22149709
2-chloro-N-pyridin-4-yl-7H-purin-6-amine
CID 155102926

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7H-purine?
The IUPAC name of 2,6-dichloro-7H-purine (CID 10750289) is 2,6-dichloro-7H-purine.
What is the SMILES notation for 2,6-dichloro-7H-purine?
The canonical SMILES for 2,6-dichloro-7H-purine is Clc1[15n]c(Cl)c2[15nH][13cH]nc2[15n]1.
What is the InChIKey of 2,6-dichloro-7H-purine?
The InChIKey is RMFWVOLULURGJI-QWLJVSGLSA-N. The full InChI is InChI=1S/C5H2Cl2N4/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H,8,9,10,11)/i1+1,8+1,10+1,11+1.
What are the key properties of 2,6-dichloro-7H-purine?
2,6-dichloro-7H-purine has a molecular weight of 192.98 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7H-purine is sourced from PubChem (CID 10750289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).