4,6-Dimethylpyrimidine
Properties
- Molecular formula
- C6H8N2
- Molar mass
- 108.14 g/mol
- Exact mass
- 108.0687 Da
- Melting point
- 25 °C
- Boiling point
- 159 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 25.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor97.8% of notifiers
- H315 Causes skin irritation13% of notifiers
- H319 Causes serious eye irritation13% of notifiers
- H335 May cause respiratory irritation10.9% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1558-17-4SMILES
Cc1cc(C)ncn1InChIKey
LSBIUXKNVUBKRI-UHFFFAOYSA-NInChI
InChI=1S/C6H8N2/c1-5-3-6(2)8-4-7-5/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Pyrimidine, 4,6-dimethyl-
- NSC 60686
Work with 4,6-Dimethylpyrimidine
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
4-Chloro-6-methylpyrimidine3435-25-462 % similar
6-Methyl-4(3H)-pyrimidinone3524-87-662 % similar
4-Methylpyrimidine3438-46-845 % similar
2,4-Lutidine108-47-443 % similar
2-Chloro-4,6-dimethylpyrimidine4472-44-043 % similar
2-Hydroxy-4,6-dimethylpyrimidine108-79-241 % similar
4,6-Dimethyl-2-mercaptopyrimidine22325-27-541 % similar
3-Methylisoquinoline1125-80-040 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.