8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine

C24H24N4O — CID 11531100

IUPAC8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1
InChIInChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28)
InChIKeyRUJAVZASKOTMEL-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.74
Rot. Bonds4

About 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine

8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine (PubChem CID 11531100) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine.

Molecular Properties

Compound Name8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine
PubChem CID11531100
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1
InChIInChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28)
InChIKeyRUJAVZASKOTMEL-UHFFFAOYSA-N
XLogP5.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine?
The IUPAC name of 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine (CID 11531100) is 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine.
What is the SMILES notation for 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine?
The canonical SMILES for 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine is COc1ccc(-c2nc(-c3ccccc3)nc3nc(C4CCCCC4)[nH]c23)cc1.
What is the InChIKey of 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine?
The InChIKey is RUJAVZASKOTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-29-19-14-12-16(13-15-19)20-21-24(27-22(25-20)17-8-4-2-5-9-17)28-23(26-21)18-10-6-3-7-11-18/h2,4-5,8-9,12-15,18H,3,6-7,10-11H2,1H3,(H,25,26,27,28).
What are the key properties of 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine?
8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine has a molecular weight of 384.48 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-(4-methoxyphenyl)-2-phenyl-7H-purine is sourced from PubChem (CID 11531100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).