chempirical

Pyrimidin-5-amine

C4H5N3CAS 591-55-995.10 g/mol

Open in Covalent MOL file
H2NNN
Primary amine

Properties

Molecular formula
C4H5N3
Molar mass
95.10 g/mol
Exact mass
95.0483 Da
Melting point
170–171 °C
logP
0.06Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
591-55-9
SMILES
Nc1cncnc1
InChIKey
FVLAYJRLBLHIPV-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2

Weigh it out

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

Names and synonyms

6 names
  • 5-Pyrimidinamine
  • Pyrimidine, 5-amino-
  • 5-Aminopyrimidine
  • 5-Aminopyridine
  • NSC 401237
  • Pyrimidin-5-ylamine

Work with Pyrimidin-5-amine

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-Aminopyridine462-08-845 % similar 2,5-Diaminopyrimidine22715-27-145 % similar 2-Chloropyrimidin-5-amine56621-90-043 % similar 3-Amino-5-bromopyridine13535-01-842 % similar 5-Fluoro-3-pyridinamine210169-05-442 % similar 5-Chloro-3-pyridinamine22353-34-042 % similar 5-Methyl-3-pyridinamine3430-19-142 % similar 5-Aminopyridin-3-ol3543-01-942 % similar

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

Same formula

2-Aminopyrimidine109-12-6 4-Aminopyridazine20744-39-2 Aminopyrazine5049-61-6 3-Pyridazinamine5469-70-5 4-Aminopyrimidine591-54-8 Iminodiacetonitrile628-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook