2-Methylpyrimidine

C5H6N2CAS 5053-43-094.12 g/mol

Open in Covalent MOL file
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Properties

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

Hazards

Danger
Flammable (GHS02)Corrosive (GHS05)Irritant (GHS07)

Aggregated from 71 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, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
5053-43-0
SMILES
CC1=NC=CC=N1
InChIKey
LNJMHEJAYSYZKK-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2/c1-5-6-3-2-4-7-5/h2-4H,1H3

Weigh it out

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

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Bipyrimidine34671-83-547 % similar 2-Chloropyrimidine1722-12-942 % similar 2-Methylpyridine109-06-841 % similar 2-Methylpyridine1333-41-141 % similar 2-Methylpyrimidin-5-amine39889-94-641 % similar 5-Bromo-2-methylpyrimidine7752-78-541 % similar 2-Mercaptopyrimidine1450-85-740 % similar 2-Iodopyrimidine31462-54-140 % 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 4-Methylpyrimidine3438-46-8 3-Aminopyridine462-08-8 4-Aminopyridine504-24-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook