chempirical

4-Methylpyrimidine

C5H6N2CAS 3438-46-894.12 g/mol

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Properties

Molecular formula
C5H6N2
Molar mass
94.12 g/mol
Exact mass
94.0531 Da
Melting point
32 °C
Boiling point
142 °C
logP
0.79Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
3438-46-8
SMILES
Cc1ccncn1
InChIKey
LVILGAOSPDLNRM-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3

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Names and synonyms

2 names
  • Pyrimidine, 4-methyl-
  • 4-Methyl-1,3-diazine

Reactions

Work with 4-Methylpyrimidine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methylpyridine109-06-846 % similar 2-Methylpyridine1333-41-146 % similar 4,6-Dimethylpyrimidine1558-17-445 % similar 4-Hydroxypyrimidine4562-27-044 % similar 4(3H)-Pyrimidinone51953-17-444 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-943 % similar 2-Chloro-4-methylpyrimidine13036-57-241 % similar 2-Bromo-4-methylpyrimidine130645-48-639 % similar

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

Same formula

1-Vinylimidazole1072-63-5 Methylpyrazine109-08-0 4-Methylpyridazine1120-88-3 3-Methylpyridazine1632-76-4 5-Methylpyrimidine2036-41-1 3-Aminopyridine462-08-8 4-Aminopyridine504-24-5 2-Aminopyridine504-29-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook