chempirical

2-Aminopyrimidine

C4H5N3CAS 109-12-695.10 g/mol

Open in Covalent MOL file
HNNHN

Properties

Molecular formula
C4H5N3
Molar mass
95.10 g/mol
Exact mass
95.0483 Da
Melting point
127.5 °C
Boiling point
157 °C (at 135 Torr)
logP
-0.11Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 190 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
109-12-6
SMILES
N=c1nccc[nH]1
InChIKey
LJXQPZWIHJMPQQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)

Weigh it out

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

Names and synonyms

7 names
  • 2-Pyrimidinamine
  • Pyrimidine, 2-amino-
  • Pyrimidine, 1,2-dihydro-2-imino-
  • 1,2-Dihydro-2-iminopyrimidine
  • 2-Pyrimidylamine
  • Pyrimidin-2-ylamine
  • NSC 1912

Work with 2-Aminopyrimidine

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

3-Amino-1,2,4-triazine1120-99-646 % similar 1,3,5-Triazin-2-amine4122-04-741 % similar 2-Amino-4-methylpyrimidine108-52-137 % similar Isocytosine108-53-237 % similar 5-Iodo-2-pyrimidinamine1445-39-237 % similar 5-Chloro-2-pyrimidinamine5428-89-737 % similar 2-Amino-5-bromopyrimidine7752-82-137 % similar 1,7-Naphthyridin-8-amine17965-82-136 % similar

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

Same formula

4-Aminopyridazine20744-39-2 Aminopyrazine5049-61-6 3-Pyridazinamine5469-70-5 4-Aminopyrimidine591-54-8 Pyrimidin-5-amine591-55-9 Iminodiacetonitrile628-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook