2-Methyl-N-(6-oxo-6,7-dihydro-3H-purin-2-yl)propanamide | CAS No. 21047-89-2

2-Methyl-N-(6-oxo-6,7-dihydro-3H-purin-2-yl)propanamide

Basic Information

CAS Number

21047-89-2

Molecular Formula

C9H11N5O2

Molecular Weight

221.22 g/mol

AD

Basic Physical Properties

CC(C)C(=O)NC1=NC2=C(C(=O)N1)NC=N2

InChI

InChI=1S/C9H11N5O2/c1-4(2)7(15)13-9-12-6-5(8(16)14-9)10-3-11-6/h3-4H,1-2H3,(H3,10,11,12,13,14,15,16)

InChIKey

CFIBTBBTJWHPQV-UHFFFAOYSA-N

LogP

0.24069999999999986

Topological Polar Surface Area

103.53 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

352

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • NCI60_012451
  • N-(6,7-DIHYDRO-6-OXO-1H-PURIN-2-YL)-2-METHYLPROPANAMIDE
  • AKOS024280914
  • AC-32450
  • N-(6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide
  • AKOS016009831
  • CS-0154970
  • 21047-89-2
  • N2-Isobutyrylguanine
  • BCP18432
  • A879283
  • AS-19041
  • N-(6-Hydroxy-9H-purin-2-yl)-2-methylpropanamide
  • 2-methyl-N-(6-oxo-6,7-dihydro-1H-purin-2-yl)propanamide
  • Propanamide, N-(6,9-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-
  • n-isobutyrylguanine
  • 2-methyl-N-(6-oxo-3,7-dihydropurin-2-yl)propanamide
  • N2-(isobutanoyl) guanine
  • Propanamide,N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-
  • N-IB-GUA
  • N2-Isobutyl-guanine
  • MFCD00831974
  • Oprea1_393278
  • SCHEMBL442818
  • SCHEMBL10580077
  • 2-Methyl-N-(6-oxo-6,9-dihydro-1H-purin-2-yl)propanamide #
  • W-201857
  • N-(6-hydroxy-9H-purin-2-yl)-2-methyl-propanamide
  • N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide
  • Propanamide, N-(6,7-dihydro-6-oxo-1H-purin-2-yl)-2-methyl-
  • NSC637538

MDL Number

MFCD16038625

Customs Code

2933990090

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