7-benzyl-2,6,9-trimethyl-8H-purine

C15H18N4 — CID 20662935

IUPAC7-benzyl-2,6,9-trimethyl-8H-purine
SMILESCc1nc(C)c2c(n1)N(C)CN2Cc1ccccc1
InChIInChI=1S/C15H18N4/c1-11-14-15(17-12(2)16-11)18(3)10-19(14)9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyXUJXHWIOQMCDHP-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.51
Rot. Bonds2

About 7-benzyl-2,6,9-trimethyl-8H-purine

7-benzyl-2,6,9-trimethyl-8H-purine (PubChem CID 20662935) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 7-benzyl-2,6,9-trimethyl-8H-purine.

Molecular Properties

Compound Name7-benzyl-2,6,9-trimethyl-8H-purine
PubChem CID20662935
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name7-benzyl-2,6,9-trimethyl-8H-purine
SMILESCc1nc(C)c2c(n1)N(C)CN2Cc1ccccc1
InChIInChI=1S/C15H18N4/c1-11-14-15(17-12(2)16-11)18(3)10-19(14)9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKeyXUJXHWIOQMCDHP-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-benzyl-3-(3,5-dimethylphenyl)-1,3-diazinane-2,4-dione
CID 2812716
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
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4-(2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,6,9-trimethyl-8H-purine?
The IUPAC name of 7-benzyl-2,6,9-trimethyl-8H-purine (CID 20662935) is 7-benzyl-2,6,9-trimethyl-8H-purine.
What is the SMILES notation for 7-benzyl-2,6,9-trimethyl-8H-purine?
The canonical SMILES for 7-benzyl-2,6,9-trimethyl-8H-purine is Cc1nc(C)c2c(n1)N(C)CN2Cc1ccccc1.
What is the InChIKey of 7-benzyl-2,6,9-trimethyl-8H-purine?
The InChIKey is XUJXHWIOQMCDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-14-15(17-12(2)16-11)18(3)10-19(14)9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3.
What are the key properties of 7-benzyl-2,6,9-trimethyl-8H-purine?
7-benzyl-2,6,9-trimethyl-8H-purine has a molecular weight of 254.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,6,9-trimethyl-8H-purine is sourced from PubChem (CID 20662935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).