2,4,6-Tri-tert-butylpyrimidine

C16H28N2CAS 67490-21-5248.41 g/mol

Open in Covalent MOL file
NN

Properties

Molecular formula
C16H28N2
Molar mass
248.41 g/mol
Exact mass
248.2252 Da
Melting point
78–80 °C
logP
4.37Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
67490-21-5
SMILES
CC(C)(C)c1cc(C(C)(C)C)nc(C(C)(C)C)n1
InChIKey
VYWSYEDVFVGRGG-UHFFFAOYSA-N
InChI
InChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3

Weigh it out

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

Names and synonyms

3 names
  • 2,4,6-Tris(1,1-dimethylethyl)pyrimidine
  • Pyrimidine, 2,4,6-tris(1,1-dimethylethyl)-
  • 2,4,6-Tritert-butylpyrimidine

Work with 2,4,6-Tri-tert-butylpyrimidine

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

2,6-Di-tert-butyl-4-methylpyridine38222-83-254 % similar 2,6-Di-tert-butylpyridine585-48-846 % similar 2-Bromo-6-tert-butylpyridine195044-14-537 % similar 4-tert-Butyl-1,3-thiazol-2-amine74370-93-737 % similar 1,3,5-Tri-tert-butylbenzene1460-02-236 % similar tert-Butylpyrazine32741-11-036 % similar 3-(1,1-Dimethylethyl)-1-methyl-1H-pyrazol-5-amine118430-73-234 % similar 5-(tert-Butyl)-3-(trifluoromethyl)-1H-pyrazole150433-22-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia