8-phenyl-9-propan-2-yl-6-propoxypurine

C17H20N4O — CID 154718255

IUPAC8-phenyl-9-propan-2-yl-6-propoxypurine
SMILESCCCOc1ncnc2c1nc(-c1ccccc1)n2C(C)C
InChIInChI=1S/C17H20N4O/c1-4-10-22-17-14-16(18-11-19-17)21(12(2)3)15(20-14)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3
InChIKeyJMGVCRVKARILDG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.86
Rot. Bonds5

About 8-phenyl-9-propan-2-yl-6-propoxypurine

8-phenyl-9-propan-2-yl-6-propoxypurine (PubChem CID 154718255) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 8-phenyl-9-propan-2-yl-6-propoxypurine.

Molecular Properties

Compound Name8-phenyl-9-propan-2-yl-6-propoxypurine
PubChem CID154718255
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name8-phenyl-9-propan-2-yl-6-propoxypurine
SMILESCCCOc1ncnc2c1nc(-c1ccccc1)n2C(C)C
InChIInChI=1S/C17H20N4O/c1-4-10-22-17-14-16(18-11-19-17)21(12(2)3)15(20-14)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3
InChIKeyJMGVCRVKARILDG-UHFFFAOYSA-N
XLogP3.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-9-propan-2-yl-6-propoxypurine?
The IUPAC name of 8-phenyl-9-propan-2-yl-6-propoxypurine (CID 154718255) is 8-phenyl-9-propan-2-yl-6-propoxypurine.
What is the SMILES notation for 8-phenyl-9-propan-2-yl-6-propoxypurine?
The canonical SMILES for 8-phenyl-9-propan-2-yl-6-propoxypurine is CCCOc1ncnc2c1nc(-c1ccccc1)n2C(C)C.
What is the InChIKey of 8-phenyl-9-propan-2-yl-6-propoxypurine?
The InChIKey is JMGVCRVKARILDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-4-10-22-17-14-16(18-11-19-17)21(12(2)3)15(20-14)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of 8-phenyl-9-propan-2-yl-6-propoxypurine?
8-phenyl-9-propan-2-yl-6-propoxypurine has a molecular weight of 296.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-9-propan-2-yl-6-propoxypurine is sourced from PubChem (CID 154718255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).