6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione

C16H16N4O3 — CID 8990439

IUPAC6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione
SMILESCCOc1ccccc1-c1cn(C)c2nc(=O)n(C)c(=O)c-2n1
InChIInChI=1S/C16H16N4O3/c1-4-23-12-8-6-5-7-10(12)11-9-19(2)14-13(17-11)15(21)20(3)16(22)18-14/h5-9H,4H2,1-3H3
InChIKeyJJUIVXLYHOLWOR-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.04
Rot. Bonds3

About 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione

6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione (PubChem CID 8990439) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione
PubChem CID8990439
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione
SMILESCCOc1ccccc1-c1cn(C)c2nc(=O)n(C)c(=O)c-2n1
InChIInChI=1S/C16H16N4O3/c1-4-23-12-8-6-5-7-10(12)11-9-19(2)14-13(17-11)15(21)20(3)16(22)18-14/h5-9H,4H2,1-3H3
InChIKeyJJUIVXLYHOLWOR-UHFFFAOYSA-N
XLogP1.04
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
The IUPAC name of 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione (CID 8990439) is 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione.
What is the SMILES notation for 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
The canonical SMILES for 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione is CCOc1ccccc1-c1cn(C)c2nc(=O)n(C)c(=O)c-2n1.
What is the InChIKey of 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
The InChIKey is JJUIVXLYHOLWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-4-23-12-8-6-5-7-10(12)11-9-19(2)14-13(17-11)15(21)20(3)16(22)18-14/h5-9H,4H2,1-3H3.
What are the key properties of 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione?
6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione has a molecular weight of 312.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-3,8-dimethylpteridine-2,4-dione is sourced from PubChem (CID 8990439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).