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C10H14N4O2CAS 28822-58-4222.25 g/mol

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NONONHN

Properties

Molecular formula
C10H14N4O2
Molar mass
222.25 g/mol
Exact mass
222.1117 Da
Melting point
200–201 °C
logP
0.08Crippen estimate
Polar surface area
72.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
28822-58-4
SMILES
CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21
InChIKey
APIXJSLKIYYUKG-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)

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Names and synonyms

14 names · show all
  • 1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-3-(2-methylpropyl)-
  • Xanthine, 3-isobutyl-1-methyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
  • 3,9-Dihydro-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
  • 1-Methyl-3-isobutylxanthine
  • 3-Isobutyl-1-methylxanthine
  • Isobutylmethylxanthine
  • SC 2964
  • Methylisobutylxanthine
  • IMX
  • NSC 165960
  • 1-Methyl-3-(2-methylpropyl)-2,3,6,9-tetrahydro-1H-purine-2,6-dione
  • 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione
  • 3-Isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione

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Similar compounds

Theophylline58-55-965 % similar 1,3-Dimethylxanthine monohydrate5967-84-060 % similar Aminophylline317-34-058 % similar Englate8000-10-047 % similar 1-Methylxanthine6136-37-441 % similar Proxyphylline603-00-939 % similar 3-Methylxanthine1076-22-838 % similar 8-Chlorotheophylline85-18-737 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Propanenitrile, 2,2′-[1,2-ethanediylidenebis(oxidonitrilo)]bis[2-methyl-257869-89-9

Elsewhere

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