5-Iodo-2-pyrimidinamine

C4H4IN3CAS 1445-39-2221.00 g/mol

Open in Covalent MOL file
HNNIHN
Aryl halide

Properties

Molecular formula
C4H4IN3
Molar mass
221.00 g/mol
Exact mass
220.9450 Da
Melting point
224–226 °C
logP
0.49Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1445-39-2
SMILES
N=c1ncc(I)c[nH]1
InChIKey
HAFKCGZQRIIADX-UHFFFAOYSA-N
InChI
InChI=1S/C4H4IN3/c5-3-1-7-4(6)8-2-3/h1-2H,(H2,6,7,8)

Weigh it out

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

Names and synonyms

5 names
  • 2-Pyrimidinamine, 5-iodo-
  • Pyrimidine, 2-amino-5-iodo-
  • 2-Amino-5-iodopyrimidine
  • NSC 48224
  • 5-Iodopyrimidin-2-ylamine

Work with 5-Iodo-2-pyrimidinamine

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

5-Chloro-2-pyrimidinamine5428-89-752 % similar 2-Amino-5-bromopyrimidine7752-82-152 % similar 2-Amino-5-pyrimidinemethanol120747-85-547 % similar (2-Aminopyrimidin-5-yl)boronic acid936250-22-547 % similar 5-Nitropyrimidin-2-amine3073-77-643 % similar 2-Amino-5-pyrimidinecarboxylic acid3167-50-843 % similar 2-Amino-5-iodopyridine20511-12-040 % similar 4-Iodopyrazole3469-69-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Iodopyridazin-3-amine187973-60-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook