2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione

C20H23N5O2 — CID 6492708

IUPAC2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(C)c(Cn2c(=O)c3c(nc4n(C)c(C)c(C)n34)n(C)c2=O)c1
InChIInChI=1S/C20H23N5O2/c1-11-7-8-12(2)15(9-11)10-24-18(26)16-17(23(6)20(24)27)21-19-22(5)13(3)14(4)25(16)19/h7-9H,10H2,1-6H3
InChIKeyYLHMERUJQWEYTB-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.97
Rot. Bonds2

About 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione

2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6492708) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6492708
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1ccc(C)c(Cn2c(=O)c3c(nc4n(C)c(C)c(C)n34)n(C)c2=O)c1
InChIInChI=1S/C20H23N5O2/c1-11-7-8-12(2)15(9-11)10-24-18(26)16-17(23(6)20(24)27)21-19-22(5)13(3)14(4)25(16)19/h7-9H,10H2,1-6H3
InChIKeyYLHMERUJQWEYTB-UHFFFAOYSA-N
XLogP1.97
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,5-dimethylphenyl)methyl]-4,7,8-trimethyl-6-(2-morpholin-4-ylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16615235
4,7,8-trimethyl-2,6-bis[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 16623568
2-[(3-chlorophenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3163168
6-ethyl-4,7,8-trimethyl-2-[(2-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 3163148
2-benzyl-6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16811596
6-(2,5-dimethylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 7214046
6-(2,4-dimethylphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 7214040
6-butyl-4,7,8-trimethyl-2-[(4-methylphenyl)methyl]purino[7,8-a]imidazole-1,3-dione
CID 7520710
2-[(2,5-dimethylphenyl)methyl]-6-(3-ethoxypropyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3164100
2-[(2,5-dimethylphenyl)methyl]-6-[2-(2-hydroxyethoxy)ethyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615209
7-tert-butyl-2-[(2,5-dimethylphenyl)methyl]-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione
CID 16615118
(4S)-7-[(2,5-dimethylphenyl)methyl]-3,4,9-trimethyl-1,4-dihydropurino[8,7-c][1,2,4]triazine-6,8-dione
CID 51443061

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (CID 6492708) is 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is Cc1ccc(C)c(Cn2c(=O)c3c(nc4n(C)c(C)c(C)n34)n(C)c2=O)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is YLHMERUJQWEYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-11-7-8-12(2)15(9-11)10-24-18(26)16-17(23(6)20(24)27)21-19-22(5)13(3)14(4)25(16)19/h7-9H,10H2,1-6H3.
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 365.44 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-4,6,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6492708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).