2,9-bis(4-propan-2-yloxyphenyl)purine

C23H24N4O2 — CID 134179663

IUPAC2,9-bis(4-propan-2-yloxyphenyl)purine
SMILESCC(C)Oc1ccc(-c2ncc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)28-19-9-5-17(6-10-19)22-24-13-21-23(26-22)27(14-25-21)18-7-11-20(12-8-18)29-16(3)4/h5-16H,1-4H3
InChIKeyZGNJBDFDJLZYDM-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.06
Rot. Bonds6

About 2,9-bis(4-propan-2-yloxyphenyl)purine

2,9-bis(4-propan-2-yloxyphenyl)purine (PubChem CID 134179663) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2,9-bis(4-propan-2-yloxyphenyl)purine.

Molecular Properties

Compound Name2,9-bis(4-propan-2-yloxyphenyl)purine
PubChem CID134179663
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2,9-bis(4-propan-2-yloxyphenyl)purine
SMILESCC(C)Oc1ccc(-c2ncc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1
InChIInChI=1S/C23H24N4O2/c1-15(2)28-19-9-5-17(6-10-19)22-24-13-21-23(26-22)27(14-25-21)18-7-11-20(12-8-18)29-16(3)4/h5-16H,1-4H3
InChIKeyZGNJBDFDJLZYDM-UHFFFAOYSA-N
XLogP5.06
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,9-bis(4-propan-2-yloxyphenyl)purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(4-propan-2-yloxyphenyl)purine?
The IUPAC name of 2,9-bis(4-propan-2-yloxyphenyl)purine (CID 134179663) is 2,9-bis(4-propan-2-yloxyphenyl)purine.
What is the SMILES notation for 2,9-bis(4-propan-2-yloxyphenyl)purine?
The canonical SMILES for 2,9-bis(4-propan-2-yloxyphenyl)purine is CC(C)Oc1ccc(-c2ncc3ncn(-c4ccc(OC(C)C)cc4)c3n2)cc1.
What is the InChIKey of 2,9-bis(4-propan-2-yloxyphenyl)purine?
The InChIKey is ZGNJBDFDJLZYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15(2)28-19-9-5-17(6-10-19)22-24-13-21-23(26-22)27(14-25-21)18-7-11-20(12-8-18)29-16(3)4/h5-16H,1-4H3.
What are the key properties of 2,9-bis(4-propan-2-yloxyphenyl)purine?
2,9-bis(4-propan-2-yloxyphenyl)purine has a molecular weight of 388.47 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-propan-2-yloxyphenyl)purine is sourced from PubChem (CID 134179663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).