2-chloro-8-(2-methoxyphenyl)-7H-purine

C12H9ClN4O — CID 24904038

IUPAC2-chloro-8-(2-methoxyphenyl)-7H-purine
SMILESCOc1ccccc1-c1nc2nc(Cl)ncc2[nH]1
InChIInChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-7(9)10-15-8-6-14-12(13)17-11(8)16-10/h2-6H,1H3,(H,14,15,16,17)
InChIKeyADNBQMYEJJQNPO-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-8-(2-methoxyphenyl)-7H-purine

2-chloro-8-(2-methoxyphenyl)-7H-purine (PubChem CID 24904038) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-chloro-8-(2-methoxyphenyl)-7H-purine.

Molecular Properties

Compound Name2-chloro-8-(2-methoxyphenyl)-7H-purine
PubChem CID24904038
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name2-chloro-8-(2-methoxyphenyl)-7H-purine
SMILESCOc1ccccc1-c1nc2nc(Cl)ncc2[nH]1
InChIInChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-7(9)10-15-8-6-14-12(13)17-11(8)16-10/h2-6H,1H3,(H,14,15,16,17)
InChIKeyADNBQMYEJJQNPO-UHFFFAOYSA-N
XLogP2.68
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-8-(2-methoxyphenyl)-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

2-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24904050
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
2-(5-chloro-2-methoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 81137085
8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
6-chloro-2-(2-methoxy-4-methylsulfanylphenyl)-1H-imidazo[4,5-b]pyridine
CID 14762716
8-benzyl-2-chloro-7H-purine
CID 150669812
2-(2-methoxyphenyl)-1H-imidazole-5-carbonitrile
CID 57438381
2-(2-methoxyphenyl)-4-nitro-1H-benzimidazole
CID 59843298
2-(3-chloronaphthalen-2-yl)-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 70461397
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
5-chloro-2-(2-methoxyphenyl)-1-methylimidazole
CID 117259261
3-ethoxy-4-(2-methoxy-7H-purin-8-yl)phenol
CID 135736199

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(2-methoxyphenyl)-7H-purine?
The IUPAC name of 2-chloro-8-(2-methoxyphenyl)-7H-purine (CID 24904038) is 2-chloro-8-(2-methoxyphenyl)-7H-purine.
What is the SMILES notation for 2-chloro-8-(2-methoxyphenyl)-7H-purine?
The canonical SMILES for 2-chloro-8-(2-methoxyphenyl)-7H-purine is COc1ccccc1-c1nc2nc(Cl)ncc2[nH]1.
What is the InChIKey of 2-chloro-8-(2-methoxyphenyl)-7H-purine?
The InChIKey is ADNBQMYEJJQNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-7(9)10-15-8-6-14-12(13)17-11(8)16-10/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 2-chloro-8-(2-methoxyphenyl)-7H-purine?
2-chloro-8-(2-methoxyphenyl)-7H-purine has a molecular weight of 260.68 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-(2-methoxyphenyl)-7H-purine is sourced from PubChem (CID 24904038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).