6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

C22H27N5O2 — CID 7214046

IUPAC6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1
InChIInChI=1S/C22H27N5O2/c1-12(2)11-25-20(28)18-19(24(7)22(25)29)23-21-26(15(5)16(6)27(18)21)17-10-13(3)8-9-14(17)4/h8-10,12H,11H2,1-7H3
InChIKeyINTIZOQHHXFJTQ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.03
Rot. Bonds3

About 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione

6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (PubChem CID 7214046) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
PubChem CID7214046
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1
InChIInChI=1S/C22H27N5O2/c1-12(2)11-25-20(28)18-19(24(7)22(25)29)23-21-26(15(5)16(6)27(18)21)17-10-13(3)8-9-14(17)4/h8-10,12H,11H2,1-7H3
InChIKeyINTIZOQHHXFJTQ-UHFFFAOYSA-N
XLogP3.03
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione (CID 7214046) is 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is Cc1ccc(C)c(-n2c(C)c(C)n3c4c(=O)n(CC(C)C)c(=O)n(C)c4nc23)c1.
What is the InChIKey of 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
The InChIKey is INTIZOQHHXFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-12(2)11-25-20(28)18-19(24(7)22(25)29)23-21-26(15(5)16(6)27(18)21)17-10-13(3)8-9-14(17)4/h8-10,12H,11H2,1-7H3.
What are the key properties of 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione?
6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione has a molecular weight of 393.49 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 7214046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).