2,6-bis(4-methoxyphenyl)-7H-purine

C19H16N4O2 — CID 11493677

IUPAC2,6-bis(4-methoxyphenyl)-7H-purine
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N4O2/c1-24-14-7-3-12(4-8-14)16-17-19(21-11-20-17)23-18(22-16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyZGJSQGNKCRURQW-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.70
Rot. Bonds4

About 2,6-bis(4-methoxyphenyl)-7H-purine

2,6-bis(4-methoxyphenyl)-7H-purine (PubChem CID 11493677) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2,6-bis(4-methoxyphenyl)-7H-purine.

Molecular Properties

Compound Name2,6-bis(4-methoxyphenyl)-7H-purine
PubChem CID11493677
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2,6-bis(4-methoxyphenyl)-7H-purine
SMILESCOc1ccc(-c2nc(-c3ccc(OC)cc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C19H16N4O2/c1-24-14-7-3-12(4-8-14)16-17-19(21-11-20-17)23-18(22-16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23)
InChIKeyZGJSQGNKCRURQW-UHFFFAOYSA-N
XLogP3.70
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methoxyphenyl)-7H-purine?
The IUPAC name of 2,6-bis(4-methoxyphenyl)-7H-purine (CID 11493677) is 2,6-bis(4-methoxyphenyl)-7H-purine.
What is the SMILES notation for 2,6-bis(4-methoxyphenyl)-7H-purine?
The canonical SMILES for 2,6-bis(4-methoxyphenyl)-7H-purine is COc1ccc(-c2nc(-c3ccc(OC)cc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2,6-bis(4-methoxyphenyl)-7H-purine?
The InChIKey is ZGJSQGNKCRURQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-24-14-7-3-12(4-8-14)16-17-19(21-11-20-17)23-18(22-16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H,20,21,22,23).
What are the key properties of 2,6-bis(4-methoxyphenyl)-7H-purine?
2,6-bis(4-methoxyphenyl)-7H-purine has a molecular weight of 332.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-methoxyphenyl)-7H-purine is sourced from PubChem (CID 11493677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).