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

C18H19N5O3 — CID 3165145

IUPAC6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C18H19N5O3/c1-10-11(2)23-14-15(20(3)18(25)21(4)16(14)24)19-17(23)22(10)12-8-6-7-9-13(12)26-5/h6-9H,1-5H3
InChIKeyCCLMPOMLXAQFJE-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.30
Rot. Bonds2

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

6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 3165145) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID3165145
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione
SMILESCOc1ccccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12
InChIInChI=1S/C18H19N5O3/c1-10-11(2)23-14-15(20(3)18(25)21(4)16(14)24)19-17(23)22(10)12-8-6-7-9-13(12)26-5/h6-9H,1-5H3
InChIKeyCCLMPOMLXAQFJE-UHFFFAOYSA-N
XLogP1.30
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-methoxyphenyl)-4,7,8-trimethyl-2-propylpurino[7,8-a]imidazole-1,3-dione
CID 16615630
2,4,7,8-tetramethyl-6-(2-phenylmethoxyphenyl)purino[7,8-a]imidazole-1,3-dione
CID 16811756
2-(3-hydroxypropyl)-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888155
2-[(4-fluorophenyl)methyl]-6-(2-methoxyphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16623898
6-(2-methoxy-5-methylphenyl)-4,7,8-trimethyl-2-(2-methylpropyl)purino[7,8-a]imidazole-1,3-dione
CID 7520601
6-(2-methoxyphenyl)-7-(4-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 4655266
6-(2-ethoxyphenyl)-4,7,8-trimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16623952
2-ethyl-6-(2-ethylphenyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16615744
6-(4-methoxyphenyl)-2,4,8-trimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 5298982
6-(2,5-dimethoxyphenyl)-2-(2-methoxyethyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 16614233
7-(3,4-dimethoxyphenyl)-6-(2-methoxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 3448454
6-(2,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione
CID 4888818

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione (CID 3165145) is 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is COc1ccccc1-n1c(C)c(C)n2c3c(=O)n(C)c(=O)n(C)c3nc12.
What is the InChIKey of 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is CCLMPOMLXAQFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-10-11(2)23-14-15(20(3)18(25)21(4)16(14)24)19-17(23)22(10)12-8-6-7-9-13(12)26-5/h6-9H,1-5H3.
What are the key properties of 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione?
6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 353.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2,4,7,8-tetramethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 3165145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).