2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione

C22H19N5O2 — CID 1038425

IUPAC2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C22H19N5O2/c1-14-9-11-16(12-10-14)27-17(15-7-5-4-6-8-15)13-26-18-19(23-21(26)27)24(2)22(29)25(3)20(18)28/h4-13H,1-3H3
InChIKeyLXKSYDKTOOKBNJ-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.65
Rot. Bonds2

About 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione

2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 1038425) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
PubChem CID1038425
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1
InChIInChI=1S/C22H19N5O2/c1-14-9-11-16(12-10-14)27-17(15-7-5-4-6-8-15)13-26-18-19(23-21(26)27)24(2)22(29)25(3)20(18)28/h4-13H,1-3H3
InChIKeyLXKSYDKTOOKBNJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione (CID 1038425) is 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione is Cc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1.
What is the InChIKey of 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is LXKSYDKTOOKBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14-9-11-16(12-10-14)27-17(15-7-5-4-6-8-15)13-26-18-19(23-21(26)27)24(2)22(29)25(3)20(18)28/h4-13H,1-3H3.
What are the key properties of 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione?
2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 385.43 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(4-methylphenyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 1038425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).