2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione

C25H23N5O3 — CID 41365689

About 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione

2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione (PubChem CID 41365689) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

• Compound Name: 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione
• PubChem CID: 41365689
• Molecular Formula: C25H23N5O3
• Molecular Weight: 441.49 g/mol
• Exact Mass: 441.18
• IUPAC Name: 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione
• SMILES: Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OC/C=C/c1ccccc1
• InChI: InChI=1S/C25H23N5O3/c1-17-16-29-21-22(27(2)25(32)28(3)23(21)31)26-24(29)30(17)19-13-7-8-14-20(19)33-15-9-12-18-10-5-4-6-11-18/h4-14,16H,15H2,1-3H3/b12-9+
• InChIKey: AYBOWYRVLPTICE-FMIVXFBMSA-N
• XLogP: 3.08
• TPSA: 75.46 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.49
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione?

The IUPAC name of 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione (CID 41365689) is 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione.

What is the SMILES notation for 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione?

The canonical SMILES for 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione is Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OC/C=C/c1ccccc1.

What is the InChIKey of 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione?

The InChIKey is AYBOWYRVLPTICE-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-17-16-29-21-22(27(2)25(32)28(3)23(21)31)26-24(29)30(17)19-13-7-8-14-20(19)33-15-9-12-18-10-5-4-6-11-18/h4-14,16H,15H2,1-3H3/b12-9+.

What are the key properties of 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione?

2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione has a molecular weight of 441.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4,7-trimethyl-6-[2-[(E)-3-phenylprop-2-enoxy]phenyl]purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 41365689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).