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

C16H15N5O3 — CID 4859535

IUPAC6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1O
InChIInChI=1S/C16H15N5O3/c1-8-9(2)21-12-13(19(3)16(24)18-14(12)23)17-15(21)20(8)10-6-4-5-7-11(10)22/h4-7,22H,1-3H3,(H,18,23,24)
InChIKeyWEVPHVGJBZIWBU-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.99
Rot. Bonds1

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

6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 4859535) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID4859535
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1O
InChIInChI=1S/C16H15N5O3/c1-8-9(2)21-12-13(19(3)16(24)18-14(12)23)17-15(21)20(8)10-6-4-5-7-11(10)22/h4-7,22H,1-3H3,(H,18,23,24)
InChIKeyWEVPHVGJBZIWBU-UHFFFAOYSA-N
XLogP0.99
TPSA97.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 18289612
6-(2,4-dimethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 6484896
6-(2-hydroxyphenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4886508
2-butyl-6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16610339
6-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16626795
2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615744
6-(2-aminophenyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4891461
6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
CID 3165145
6-[2-(4-ethylanilino)ethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 17495719
6-[2-(3,4-dimethoxyphenyl)ethyl]-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4886894
6-(2-hydroxyphenyl)-2,4,7-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 3162669
2-[6-(2-chlorophenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
CID 6484601

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione (CID 4859535) is 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione is Cc1c(C)n2c3c(=O)[nH]c(=O)n(C)c3nc2n1-c1ccccc1O.
What is the InChIKey of 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is WEVPHVGJBZIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-8-9(2)21-12-13(19(3)16(24)18-14(12)23)17-15(21)20(8)10-6-4-5-7-11(10)22/h4-7,22H,1-3H3,(H,18,23,24).
What are the key properties of 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione?
6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 325.33 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 4859535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).