2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine

C12H8Cl2N4O — CID 86188206

IUPAC2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
SMILESClc1ccc(COc2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C12H8Cl2N4O/c13-8-3-1-7(2-4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H,15,16,17,18)
InChIKeyCCONJUBMINLVPM-UHFFFAOYSA-N
MW295.13 g/mol
LogP3.24
Rot. Bonds3

About 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine

2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine (PubChem CID 86188206) has the molecular formula C12H8Cl2N4O and a molecular weight of 295.13 g/mol. Its IUPAC name is 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine.

Molecular Properties

Compound Name2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
PubChem CID86188206
Molecular FormulaC12H8Cl2N4O
Molecular Weight295.13 g/mol
Exact Mass294.01
IUPAC Name2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine
SMILESClc1ccc(COc2nc(Cl)nc3nc[nH]c23)cc1
InChIInChI=1S/C12H8Cl2N4O/c13-8-3-1-7(2-4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H,15,16,17,18)
InChIKeyCCONJUBMINLVPM-UHFFFAOYSA-N
XLogP3.24
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.13
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[4-(2-aminoethyl)phenyl]methoxy]-7H-purin-2-amine
CID 146985461
2-chloro-6-(5-chloro-2-methylphenoxy)-7H-purine
CID 104787024
6-[(3-chlorophenyl)methoxy]-7H-purin-2-amine
CID 5329518
2-[(2-chloro-7H-purin-6-yl)oxy]-N,N-dimethylethanamine
CID 104786985
2-chloro-6-(3-chlorophenoxy)-7H-purine
CID 104786941
5-chloro-4-[(4-chlorophenyl)methoxy]-1H-pyrimidin-6-one
CID 114676469
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
CID 113453025
2-chloro-6-(2-ethylphenoxy)-7H-purine
CID 113453019
6-[(3-aminophenyl)methoxy]-7H-purin-2-amine
CID 5329517
2-chloro-6-(4-methylpentan-2-yloxy)-7H-purine
CID 104786882
2-chloro-6-(5-chloro-2-nitrophenoxy)-7H-purine
CID 104787001
2-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-7H-purin-6-amine
CID 104697470

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine?
The IUPAC name of 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine (CID 86188206) is 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine.
What is the SMILES notation for 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine?
The canonical SMILES for 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine is Clc1ccc(COc2nc(Cl)nc3nc[nH]c23)cc1.
What is the InChIKey of 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine?
The InChIKey is CCONJUBMINLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O/c13-8-3-1-7(2-4-8)5-19-11-9-10(16-6-15-9)17-12(14)18-11/h1-4,6H,5H2,(H,15,16,17,18).
What are the key properties of 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine?
2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine has a molecular weight of 295.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-chlorophenyl)methoxy]-7H-purine is sourced from PubChem (CID 86188206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).