6-benzyl-8-methyl-7H-purine

C13H12N4 — CID 11481499

IUPAC6-benzyl-8-methyl-7H-purine
SMILESCc1nc2ncnc(Cc3ccccc3)c2[nH]1
InChIInChI=1S/C13H12N4/c1-9-16-12-11(14-8-15-13(12)17-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,16,17)
InChIKeyZYKRTZLRBJJXJA-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.25
Rot. Bonds2

About 6-benzyl-8-methyl-7H-purine

6-benzyl-8-methyl-7H-purine (PubChem CID 11481499) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-benzyl-8-methyl-7H-purine.

Molecular Properties

Compound Name6-benzyl-8-methyl-7H-purine
PubChem CID11481499
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-benzyl-8-methyl-7H-purine
SMILESCc1nc2ncnc(Cc3ccccc3)c2[nH]1
InChIInChI=1S/C13H12N4/c1-9-16-12-11(14-8-15-13(12)17-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,16,17)
InChIKeyZYKRTZLRBJJXJA-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-8-methyl-7H-purine?
The IUPAC name of 6-benzyl-8-methyl-7H-purine (CID 11481499) is 6-benzyl-8-methyl-7H-purine.
What is the SMILES notation for 6-benzyl-8-methyl-7H-purine?
The canonical SMILES for 6-benzyl-8-methyl-7H-purine is Cc1nc2ncnc(Cc3ccccc3)c2[nH]1.
What is the InChIKey of 6-benzyl-8-methyl-7H-purine?
The InChIKey is ZYKRTZLRBJJXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-16-12-11(14-8-15-13(12)17-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,15,16,17).
What are the key properties of 6-benzyl-8-methyl-7H-purine?
6-benzyl-8-methyl-7H-purine has a molecular weight of 224.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-8-methyl-7H-purine is sourced from PubChem (CID 11481499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).