8-(1-phenylethyl)-7H-purine

C13H12N4 — CID 114028835

IUPAC8-(1-phenylethyl)-7H-purine
SMILESCC(c1ccccc1)c1nc2ncncc2[nH]1
InChIInChI=1S/C13H12N4/c1-9(10-5-3-2-4-6-10)12-16-11-7-14-8-15-13(11)17-12/h2-9H,1H3,(H,14,15,16,17)
InChIKeyPXGZQVYARCCZIS-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.50
Rot. Bonds2

About 8-(1-phenylethyl)-7H-purine

8-(1-phenylethyl)-7H-purine (PubChem CID 114028835) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 8-(1-phenylethyl)-7H-purine.

Molecular Properties

Compound Name8-(1-phenylethyl)-7H-purine
PubChem CID114028835
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name8-(1-phenylethyl)-7H-purine
SMILESCC(c1ccccc1)c1nc2ncncc2[nH]1
InChIInChI=1S/C13H12N4/c1-9(10-5-3-2-4-6-10)12-16-11-7-14-8-15-13(11)17-12/h2-9H,1H3,(H,14,15,16,17)
InChIKeyPXGZQVYARCCZIS-UHFFFAOYSA-N
XLogP2.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrazol-4-yl)-(7H-purin-8-yl)methanamine
CID 114402069
1-(7H-purin-8-yl)prop-2-en-1-ol
CID 66692532
6,7-diphenyl-3-[phenyl(7H-purin-8-yl)methyl]-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazine
CID 171115771
6-fluoro-2-[1-(4-methoxyphenyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 89433804
4,5-diphenyl-2-[(1R)-1-phenylethyl]-1H-imidazole
CID 2538047
4-amino-6-(1-phenylethyl)-1H-1,3,5-triazin-2-one
CID 136883787
2-[methoxy(phenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 62098401
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
8-(3-methylthiophen-2-yl)-7H-purine
CID 114402599
2-methyl-5-(1-phenylethyl)-1H-imidazole
CID 154356959
1-phenyl-2-(7H-purin-8-ylsulfanyl)ethanone
CID 570633
1-phenylethylbenzene
CID 142851428

Frequently Asked Questions

What is the IUPAC name of 8-(1-phenylethyl)-7H-purine?
The IUPAC name of 8-(1-phenylethyl)-7H-purine (CID 114028835) is 8-(1-phenylethyl)-7H-purine.
What is the SMILES notation for 8-(1-phenylethyl)-7H-purine?
The canonical SMILES for 8-(1-phenylethyl)-7H-purine is CC(c1ccccc1)c1nc2ncncc2[nH]1.
What is the InChIKey of 8-(1-phenylethyl)-7H-purine?
The InChIKey is PXGZQVYARCCZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9(10-5-3-2-4-6-10)12-16-11-7-14-8-15-13(11)17-12/h2-9H,1H3,(H,14,15,16,17).
What are the key properties of 8-(1-phenylethyl)-7H-purine?
8-(1-phenylethyl)-7H-purine has a molecular weight of 224.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenylethyl)-7H-purine is sourced from PubChem (CID 114028835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).