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Home > Encyclopedia > Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-

Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-

Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]- structure

Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]- 

structure
  • CAS No:

    1246610-72-9

  • Formula:

    C13H11N3O3

  • Chemical Name:

    Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]-

  • Synonyms:

    Alogliptin Related Compound 25;SCHEMBL10065447;2-[(3-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)methyl]benzonitrile

Benzonitrile, 2-[(tetrahydro-3-Methyl-2,4,6-trioxo-1(2H)-pyriMidinyl)Methyl]- Basic Attributes

257.24474

257.08

Characteristics

81.5

0.4

1.39±0.1 g/cm3(Predicted)

423.3±47.0 °C(Predicted)

Computed Properties

Molecular Weight:257.24
XLogP3:0.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:257.08004122
Monoisotopic Mass:257.08004122
Topological Polar Surface Area:81.5
Heavy Atom Count:19
Complexity:465
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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