6-(2-fluoro-5-methylphenyl)-7H-purine

C12H9FN4 — CID 56859242

IUPAC6-(2-fluoro-5-methylphenyl)-7H-purine
SMILESCc1ccc(F)c(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H9FN4/c1-7-2-3-9(13)8(4-7)10-11-12(16-5-14-10)17-6-15-11/h2-6H,1H3,(H,14,15,16,17)
InChIKeyWQABZYILZDZVBO-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.47
Rot. Bonds1

About 6-(2-fluoro-5-methylphenyl)-7H-purine

6-(2-fluoro-5-methylphenyl)-7H-purine (PubChem CID 56859242) has the molecular formula C12H9FN4 and a molecular weight of 228.23 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenyl)-7H-purine.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenyl)-7H-purine
PubChem CID56859242
Molecular FormulaC12H9FN4
Molecular Weight228.23 g/mol
Exact Mass228.08
IUPAC Name6-(2-fluoro-5-methylphenyl)-7H-purine
SMILESCc1ccc(F)c(-c2ncnc3nc[nH]c23)c1
InChIInChI=1S/C12H9FN4/c1-7-2-3-9(13)8(4-7)10-11-12(16-5-14-10)17-6-15-11/h2-6H,1H3,(H,14,15,16,17)
InChIKeyWQABZYILZDZVBO-UHFFFAOYSA-N
XLogP2.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56723622
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine
CID 69242792
6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
CID 15527163
4-(2-fluoro-5-methylphenyl)-5,6-dimethylidenepyrimidine
CID 123994846
4-(2-fluoro-5-methylphenyl)-5-propyl-1H-pyrimidin-6-one
CID 136691841
6-(3-chloropyridazin-4-yl)-7H-purine
CID 164905912
N-(2-fluoro-4-methylphenyl)-7H-purin-6-amine;N-(2-fluoro-5-nitrophenyl)-7H-purin-6-amine
CID 69242790
N-(2-bromo-4-methylphenyl)-7H-purin-6-amine
CID 69241841
6-[4-(trifluoromethyl)phenyl]-7H-purine
CID 154460741
2-fluoro-1-[4-fluoro-3-[2-(7H-purin-6-yl)anilino]phenyl]propane-1-sulfonamide
CID 141322738
3-(7H-purin-6-yl)aniline
CID 71426821
7-fluoro-1H-imidazo[4,5-b]pyridine
CID 119084499

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenyl)-7H-purine?
The IUPAC name of 6-(2-fluoro-5-methylphenyl)-7H-purine (CID 56859242) is 6-(2-fluoro-5-methylphenyl)-7H-purine.
What is the SMILES notation for 6-(2-fluoro-5-methylphenyl)-7H-purine?
The canonical SMILES for 6-(2-fluoro-5-methylphenyl)-7H-purine is Cc1ccc(F)c(-c2ncnc3nc[nH]c23)c1.
What is the InChIKey of 6-(2-fluoro-5-methylphenyl)-7H-purine?
The InChIKey is WQABZYILZDZVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4/c1-7-2-3-9(13)8(4-7)10-11-12(16-5-14-10)17-6-15-11/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 6-(2-fluoro-5-methylphenyl)-7H-purine?
6-(2-fluoro-5-methylphenyl)-7H-purine has a molecular weight of 228.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenyl)-7H-purine is sourced from PubChem (CID 56859242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).