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

C18H14N4O — CID 11536774

IUPAC2-(4-methoxyphenyl)-6-phenyl-7H-purine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
InChIKeyCOPIEKYOHOQDKK-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.70
Rot. Bonds3

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

2-(4-methoxyphenyl)-6-phenyl-7H-purine (PubChem CID 11536774) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-phenyl-7H-purine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-phenyl-7H-purine
PubChem CID11536774
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-(4-methoxyphenyl)-6-phenyl-7H-purine
SMILESCOc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22)
InChIKeyCOPIEKYOHOQDKK-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-phenyl-7H-purine?
The IUPAC name of 2-(4-methoxyphenyl)-6-phenyl-7H-purine (CID 11536774) is 2-(4-methoxyphenyl)-6-phenyl-7H-purine.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-phenyl-7H-purine?
The canonical SMILES for 2-(4-methoxyphenyl)-6-phenyl-7H-purine is COc1ccc(-c2nc(-c3ccccc3)c3[nH]cnc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-phenyl-7H-purine?
The InChIKey is COPIEKYOHOQDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-9-7-13(8-10-14)17-21-15(12-5-3-2-4-6-12)16-18(22-17)20-11-19-16/h2-11H,1H3,(H,19,20,21,22).
What are the key properties of 2-(4-methoxyphenyl)-6-phenyl-7H-purine?
2-(4-methoxyphenyl)-6-phenyl-7H-purine has a molecular weight of 302.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-phenyl-7H-purine is sourced from PubChem (CID 11536774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).