2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-methylpyridin-2-yl)acetamide
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Basic information
- CAS
349114-53-0- Standard SMILES
Cc1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1- InChIKey
RBIPJFZPVKOCCO-UHFFFAOYSA-N- Molecular formula
- C15H16N6O3
- Average molar mass
- 328.33 g/mol
Names & identifiers
- Preferred name
- 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-methylpyridin-2-yl)acetamide
- IUPAC
- 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-methyl-2-pyridinyl)acetamide
- English name
- 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-methylpyridin-2-yl)acetamide
- Molecular formula
- C15H16N6O3
- Molecular weight
- 328.33
Names & synonyms
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-methylpyridin-2-yl)acetamideOprea1_092267RBIPJFZPVKOCCO-UHFFFAOYSA-NSTK045722AKOS000677835ST502471002-(1,3-dimethyl-2,6-dioxo(1,3,7-trihydropurin-7-yl))-N-(6-methyl(2-pyridyl))ac etamide2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurin-7-yl)-N-(6-methylpyridin-2-yl)acetamide2-(1,3-DIMETHYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-7-YL)-N-(6-METHYLPYRIDIN-2-YL)ACETAMIDE2-(1,3-dimethyl-2,6-dioxo-2,3-dihydro-1H-purin-7(6H)-yl)-N-(6-methylpyridin-2-yl)acetamideTOSLAB 8292197H-Purine-7-acetamide, 1,2,3,6-tetrahydro-1,3-dimethyl-N-(6-methyl-2-pyridinyl)-2,6-dioxo-
Database identifiers
- CAS
349114-53-0
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 12.44 · 12.44±0.70(Predicted)
Related reactions
0 records
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Compound notes
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