chempirical

4-Aminopyrimidine

C4H5N3CAS 591-54-895.10 g/mol

Open in Covalent MOL file
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Properties

Molecular formula
C4H5N3
Molar mass
95.10 g/mol
Exact mass
95.0483 Da
Melting point
155 °C
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 50 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
591-54-8
SMILES
N=c1ccnc[nH]1
InChIKey
OYRRZWATULMEPF-UHFFFAOYSA-N
InChI
InChI=1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)

Weigh it out

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

Names and synonyms

6 names
  • 4-Pyrimidinamine
  • Pyrimidine, 4-amino-
  • 3,4-Dihydro-4-iminopyrimidine
  • 6-Aminopyrimidine
  • NSC 401236
  • Pyrimidin-4-ylamine

Work with 4-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

4-Pyrimidinol51953-18-546 % similar 6-Methylpyrimidin-4-amine3435-28-743 % similar 2,5-Diaminopyridine4318-76-739 % similar 2-Thiocytosine333-49-337 % similar Cytosine71-30-737 % similar 1,3,5-Triazin-2-amine4122-04-736 % similar 2,5-Diaminopyridine dihydrochloride26878-35-335 % similar 2-Amino-5-bromopyridine1072-97-534 % 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 Pyrimidin-5-amine591-55-9 Iminodiacetonitrile628-87-5

Elsewhere

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