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

C17H17N5O3 — CID 3162688

IUPAC6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O
InChIInChI=1S/C17H17N5O3/c1-9-10(2)22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)21(9)11-7-5-6-8-12(11)23/h5-8,23H,1-4H3
InChIKeyMZDUYMNWXPTRHE-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.00
Rot. Bonds1

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

6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 3162688) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID3162688
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O
InChIInChI=1S/C17H17N5O3/c1-9-10(2)22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)21(9)11-7-5-6-8-12(11)23/h5-8,23H,1-4H3
InChIKeyMZDUYMNWXPTRHE-UHFFFAOYSA-N
XLogP1.00
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (CID 3162688) is 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is Cc1c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1O.
What is the InChIKey of 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is MZDUYMNWXPTRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-9-10(2)22-13-14(19(3)17(25)20(4)15(13)24)18-16(22)21(9)11-7-5-6-8-12(11)23/h5-8,23H,1-4H3.
What are the key properties of 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 339.36 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3162688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).