6-chloro-8-(3-methoxyphenyl)-7H-purine

C12H9ClN4O — CID 24903924

IUPAC6-chloro-8-(3-methoxyphenyl)-7H-purine
SMILESCOc1cccc(-c2nc3ncnc(Cl)c3[nH]2)c1
InChIInChI=1S/C12H9ClN4O/c1-18-8-4-2-3-7(5-8)11-16-9-10(13)14-6-15-12(9)17-11/h2-6H,1H3,(H,14,15,16,17)
InChIKeyXNWKBZVKPBCGGP-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.68
Rot. Bonds2

About 6-chloro-8-(3-methoxyphenyl)-7H-purine

6-chloro-8-(3-methoxyphenyl)-7H-purine (PubChem CID 24903924) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-chloro-8-(3-methoxyphenyl)-7H-purine.

Molecular Properties

Compound Name6-chloro-8-(3-methoxyphenyl)-7H-purine
PubChem CID24903924
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name6-chloro-8-(3-methoxyphenyl)-7H-purine
SMILESCOc1cccc(-c2nc3ncnc(Cl)c3[nH]2)c1
InChIInChI=1S/C12H9ClN4O/c1-18-8-4-2-3-7(5-8)11-16-9-10(13)14-6-15-12(9)17-11/h2-6H,1H3,(H,14,15,16,17)
InChIKeyXNWKBZVKPBCGGP-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

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Related Compounds

6-chloro-8-phenyl-7H-purine
CID 15363167
2-chloro-8-(3-methoxyphenyl)-7H-purine
CID 24904050
6-chloro-8-(6-chloro-3-pyridinyl)-7H-purine
CID 24904161
4-chloro-6-(4-methoxyphenyl)-5H-pyrrolo[3,2-d]pyrimidine
CID 86084758
4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 43332773
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(3-methoxyphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475731
8-(3-methoxy-4-methylphenyl)-7H-purin-6-amine
CID 114608321
8-(4-methoxyphenyl)-6-phenylsulfanyl-7H-purine
CID 118537732
6-chloro-7-(3-methoxyphenyl)-8-methylpurine
CID 132588134
8-(3-iodophenyl)-7H-purin-6-amine
CID 114608191
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(3-methoxyphenyl)-7H-purine?
The IUPAC name of 6-chloro-8-(3-methoxyphenyl)-7H-purine (CID 24903924) is 6-chloro-8-(3-methoxyphenyl)-7H-purine.
What is the SMILES notation for 6-chloro-8-(3-methoxyphenyl)-7H-purine?
The canonical SMILES for 6-chloro-8-(3-methoxyphenyl)-7H-purine is COc1cccc(-c2nc3ncnc(Cl)c3[nH]2)c1.
What is the InChIKey of 6-chloro-8-(3-methoxyphenyl)-7H-purine?
The InChIKey is XNWKBZVKPBCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-8-4-2-3-7(5-8)11-16-9-10(13)14-6-15-12(9)17-11/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 6-chloro-8-(3-methoxyphenyl)-7H-purine?
6-chloro-8-(3-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 6-chloro-8-(3-methoxyphenyl)-7H-purine is sourced from PubChem (CID 24903924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).