8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

C19H24N4O4 — CID 3152879

IUPAC8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
SMILESCCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1
InChIInChI=1S/C19H24N4O4/c1-5-26-10-11-27-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKeyJVUGZYNQODQMAM-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.21
Rot. Bonds7

About 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione (PubChem CID 3152879) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.

Molecular Properties

Compound Name8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
PubChem CID3152879
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione
SMILESCCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1
InChIInChI=1S/C19H24N4O4/c1-5-26-10-11-27-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3
InChIKeyJVUGZYNQODQMAM-UHFFFAOYSA-N
XLogP1.21
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione?
The IUPAC name of 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione (CID 3152879) is 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione.
What is the SMILES notation for 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione?
The canonical SMILES for 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione is CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1.
What is the InChIKey of 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione?
The InChIKey is JVUGZYNQODQMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-5-26-10-11-27-18-20-16-15(17(24)22(4)19(25)21(16)3)23(18)12-14-8-6-13(2)7-9-14/h6-9H,5,10-12H2,1-4H3.
What are the key properties of 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione?
8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione has a molecular weight of 372.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxyethoxy)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione is sourced from PubChem (CID 3152879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).