Isoguanine

C5H5N5OCAS 3373-53-3151.13 g/mol

Open in Covalent MOL file
NH2NOHNHNN
PhenolPrimary amine

Properties

Molecular formula
C5H5N5O
Molar mass
151.13 g/mol
Exact mass
151.0494 Da
Melting point
above 360 °C
logP
-0.41Crippen estimate
Polar surface area
100.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
3373-53-3
SMILES
Nc1nc(O)[nH]c2ncnc1-2
InChIKey
DRAVOWXCEBXPTN-UHFFFAOYSA-N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 2H-Purin-2-one, 6-amino-3,7-dihydro-
  • 2H-Purin-2-one, 6-amino-1,3-dihydro-
  • 6-Amino-3,7-dihydro-2H-purin-2-one
  • 2-Oxyadenine
  • Guanopterin
  • 2-Hydroxyadenine
  • 2-Hydroxy-6-aminopurine
  • 6-Amino-2-hydroxypurine
  • 2-Oxoadenine
  • NSC 241501

Work with Isoguanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloroadenine1839-18-561 % similar 2-Fluoroadenine700-49-259 % similar Adenine73-24-547 % similar Adenine hydrochloride2922-28-343 % similar Adenine sulfate321-30-240 % similar Adenine phosphate52175-10-740 % similar 2,6-Diaminopurine1904-98-939 % similar 2,6-Dichloropurine5451-40-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Amino-6-hydroxypyrazolo[3,4-d]pyrimidine5472-41-3 Guanine73-40-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia