potassium;2,6-dichloro-7H-purine;hydride

C5H3Cl2KN4 — CID 173320369

IUPACpotassium;2,6-dichloro-7H-purine;hydride
SMILESClc1nc(Cl)c2[nH]cnc2n1.[H-].[K+]
InChIInChI=1S/C5H2Cl2N4.K.H/c6-3-2-4(9-1-8-2)11-5(7)10-3;;/h1H,(H,8,9,10,11);;/q;+1;-1
InChIKeyAHEKJYZTZOERKH-UHFFFAOYSA-N
MW229.11 g/mol
LogP-1.22
Rot. Bonds

About potassium;2,6-dichloro-7H-purine;hydride

potassium;2,6-dichloro-7H-purine;hydride (PubChem CID 173320369) has the molecular formula C5H3Cl2KN4 and a molecular weight of 229.11 g/mol. Its IUPAC name is potassium;2,6-dichloro-7H-purine;hydride.

Molecular Properties

Compound Namepotassium;2,6-dichloro-7H-purine;hydride
PubChem CID173320369
Molecular FormulaC5H3Cl2KN4
Molecular Weight229.11 g/mol
Exact Mass227.94
IUPAC Namepotassium;2,6-dichloro-7H-purine;hydride
SMILESClc1nc(Cl)c2[nH]cnc2n1.[H-].[K+]
InChIInChI=1S/C5H2Cl2N4.K.H/c6-3-2-4(9-1-8-2)11-5(7)10-3;;/h1H,(H,8,9,10,11);;/q;+1;-1
InChIKeyAHEKJYZTZOERKH-UHFFFAOYSA-N
XLogP-1.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dichloro-7H-purine
CID 10750289
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 potassium;2,6-dichloro-7H-purine;hydride?
The IUPAC name of potassium;2,6-dichloro-7H-purine;hydride (CID 173320369) is potassium;2,6-dichloro-7H-purine;hydride.
What is the SMILES notation for potassium;2,6-dichloro-7H-purine;hydride?
The canonical SMILES for potassium;2,6-dichloro-7H-purine;hydride is Clc1nc(Cl)c2[nH]cnc2n1.[H-].[K+].
What is the InChIKey of potassium;2,6-dichloro-7H-purine;hydride?
The InChIKey is AHEKJYZTZOERKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2N4.K.H/c6-3-2-4(9-1-8-2)11-5(7)10-3;;/h1H,(H,8,9,10,11);;/q;+1;-1.
What are the key properties of potassium;2,6-dichloro-7H-purine;hydride?
potassium;2,6-dichloro-7H-purine;hydride has a molecular weight of 229.11 g/mol, XLogP of -1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6-dichloro-7H-purine;hydride is sourced from PubChem (CID 173320369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).