5-Methylpyrimidine
Properties
- Molecular formula
- C5H6N2
- Molar mass
- 94.12 g/mol
- Exact mass
- 94.0531 Da
- Melting point
- 30.5 °C
- Boiling point
- 153 °C
- logP
- 0.79Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid95.6% of notifiers
- H302 Harmful if swallowed86.7% of notifiers
- H315 Causes skin irritation13.3% of notifiers
- H319 Causes serious eye irritation13.3% of notifiers
- H335 May cause respiratory irritation13.3% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, 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, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
2036-41-1SMILES
Cc1cncnc1InChIKey
TWGNOYAGHYUFFR-UHFFFAOYSA-NInChI
InChI=1S/C5H6N2/c1-5-2-6-4-7-3-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Pyrimidine, 5-methyl-
- 5-Methyl-1,3-diazine
Work with 5-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
3,5-Lutidine591-22-056 % similar
3-Methylpyridine108-99-645 % similar
2-Chloro-5-methylpyrimidine22536-61-443 % similar
3-Bromo-5-methylpyridine3430-16-842 % similar
5-Methyl-3-pyridinamine3430-19-142 % similar
3-Fluoro-5-methylpyridine407-21-642 % similar
3-Hydroxy-5-methylpyridine42732-49-042 % similar
2-Bromo-5-methylpyrimidine150010-20-141 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.