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

C12H9ClN4O — CID 24904050

IUPAC2-chloro-8-(3-methoxyphenyl)-7H-purine
SMILESCOc1cccc(-c2nc3nc(Cl)ncc3[nH]2)c1
InChIInChI=1S/C12H9ClN4O/c1-18-8-4-2-3-7(5-8)10-15-9-6-14-12(13)17-11(9)16-10/h2-6H,1H3,(H,14,15,16,17)
InChIKeyUWPCFFRIMPJFFI-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.68
Rot. Bonds2

About 2-chloro-8-(3-methoxyphenyl)-7H-purine

2-chloro-8-(3-methoxyphenyl)-7H-purine (PubChem CID 24904050) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 2-chloro-8-(3-methoxyphenyl)-7H-purine.

Molecular Properties

Compound Name2-chloro-8-(3-methoxyphenyl)-7H-purine
PubChem CID24904050
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name2-chloro-8-(3-methoxyphenyl)-7H-purine
SMILESCOc1cccc(-c2nc3nc(Cl)ncc3[nH]2)c1
InChIInChI=1S/C12H9ClN4O/c1-18-8-4-2-3-7(5-8)10-15-9-6-14-12(13)17-11(9)16-10/h2-6H,1H3,(H,14,15,16,17)
InChIKeyUWPCFFRIMPJFFI-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-(3-methoxyphenyl)-7H-purine
CID 24903924
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-chloro-8-(2-methoxyphenyl)-7H-purine
CID 24904038
6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 69377270
2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
CID 67700027
8-(3-prop-2-enoxyphenyl)-7H-purin-2-amine
CID 167912800
2-[3-(difluoromethoxy)phenyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65483074
2-(3-butoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110538781
2-(3-methoxyphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475731
2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756453
6-(furan-2-yl)-2-(3-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 23026076
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-(3-methoxyphenyl)-7H-purine?
The IUPAC name of 2-chloro-8-(3-methoxyphenyl)-7H-purine (CID 24904050) is 2-chloro-8-(3-methoxyphenyl)-7H-purine.
What is the SMILES notation for 2-chloro-8-(3-methoxyphenyl)-7H-purine?
The canonical SMILES for 2-chloro-8-(3-methoxyphenyl)-7H-purine is COc1cccc(-c2nc3nc(Cl)ncc3[nH]2)c1.
What is the InChIKey of 2-chloro-8-(3-methoxyphenyl)-7H-purine?
The InChIKey is UWPCFFRIMPJFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-8-4-2-3-7(5-8)10-15-9-6-14-12(13)17-11(9)16-10/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 2-chloro-8-(3-methoxyphenyl)-7H-purine?
2-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 2-chloro-8-(3-methoxyphenyl)-7H-purine is sourced from PubChem (CID 24904050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).