chempirical

Pyrimidine

C4H4N2CAS 289-95-280.09 g/mol

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Properties

Molecular formula
C4H4N2
Molar mass
80.09 g/mol
Exact mass
80.0374 Da
Melting point
22 °C
Boiling point
123.8 °C
logP
0.48Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
289-95-2
SMILES
c1cncnc1
InChIKey
CZPWVGJYEJSRLH-UHFFFAOYSA-N
InChI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H

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

Names and synonyms

6 names
  • 1,3-Diazabenzene
  • m-Diazine
  • 1,3-Diazine
  • Metadiazine
  • Miazine
  • NSC 89305

Work with Pyrimidine

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

Pyridine110-86-146 % similar 1,3,5-Triazine290-87-945 % similar Pyridinium hydrobromide18820-82-138 % similar Hydrofluoric acid pyridine complex32001-55-138 % similar Poly(pyridine fluoride)62778-11-438 % similar Pyridinium chloride628-13-738 % similar Sulfur trioxide pyridine complex26412-87-332 % similar 2,2'-Bipyrimidine34671-83-531 % similar

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

Same formula

Succinonitrile110-61-2 Pyridazine289-80-5 Pyrazine290-37-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia