6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine

C19H24N4 — CID 154717366

IUPAC6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine
SMILESCc1ccc(-c2ncnc3c2ncn3C(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H24N4/c1-12(2)23-11-22-17-16(20-10-21-18(17)23)14-8-7-13(3)15(9-14)19(4,5)6/h7-12H,1-6H3
InChIKeyDBIJSZOFOSTBOT-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.68
Rot. Bonds2

About 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine

6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine (PubChem CID 154717366) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine.

Molecular Properties

Compound Name6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine
PubChem CID154717366
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine
SMILESCc1ccc(-c2ncnc3c2ncn3C(C)C)cc1C(C)(C)C
InChIInChI=1S/C19H24N4/c1-12(2)23-11-22-17-16(20-10-21-18(17)23)14-8-7-13(3)15(9-14)19(4,5)6/h7-12H,1-6H3
InChIKeyDBIJSZOFOSTBOT-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine?
The IUPAC name of 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine (CID 154717366) is 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine.
What is the SMILES notation for 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine?
The canonical SMILES for 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine is Cc1ccc(-c2ncnc3c2ncn3C(C)C)cc1C(C)(C)C.
What is the InChIKey of 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine?
The InChIKey is DBIJSZOFOSTBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-12(2)23-11-22-17-16(20-10-21-18(17)23)14-8-7-13(3)15(9-14)19(4,5)6/h7-12H,1-6H3.
What are the key properties of 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine?
6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine has a molecular weight of 308.43 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-4-methylphenyl)-9-propan-2-ylpurine is sourced from PubChem (CID 154717366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).