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

C20H23N5O3 — CID 6484820

IUPAC6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCOCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O
InChIInChI=1S/C20H23N5O3/c1-12-6-7-13(2)15(10-12)25-14(3)11-24-16-17(21-19(24)25)22(4)20(27)23(18(16)26)8-9-28-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeySDLIIVYYQCQLBP-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.71
Rot. Bonds4

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

6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (PubChem CID 6484820) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.

Molecular Properties

Compound Name6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
PubChem CID6484820
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione
SMILESCOCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O
InChIInChI=1S/C20H23N5O3/c1-12-6-7-13(2)15(10-12)25-14(3)11-24-16-17(21-19(24)25)22(4)20(27)23(18(16)26)8-9-28-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeySDLIIVYYQCQLBP-UHFFFAOYSA-N
XLogP1.71
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The IUPAC name of 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione (CID 6484820) is 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione.
What is the SMILES notation for 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The canonical SMILES for 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is COCCn1c(=O)c2c(nc3n(-c4cc(C)ccc4C)c(C)cn23)n(C)c1=O.
What is the InChIKey of 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
The InChIKey is SDLIIVYYQCQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-12-6-7-13(2)15(10-12)25-14(3)11-24-16-17(21-19(24)25)22(4)20(27)23(18(16)26)8-9-28-5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione?
6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione has a molecular weight of 381.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenyl)-2-(2-methoxyethyl)-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione is sourced from PubChem (CID 6484820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).