2,2′-Bipyrimidine

C8H6N4CAS 34671-83-5158.16 g/mol

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Properties

Molecular formula
C8H6N4
Molar mass
158.16 g/mol
Exact mass
158.0592 Da
Melting point
113–115 °C
logP
0.93Crippen estimate
Polar surface area
51.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
34671-83-5
SMILES
c1cnc(-c2ncccn2)nc1
InChIKey
HKOAFLAGUQUJQG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1-6H

Weigh it out

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

Names and synonyms

4 names
  • 2,2'-Bipyrimidine
  • 2,2′-Dipyrimidine
  • Bipyrimidyl
  • [2,2′]Bipyrimidinyl

Work with 2,2′-Bipyrimidine

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-Chloropyrimidine1722-12-950 % similar 2-Mercaptopyrimidine1450-85-747 % similar 2-Iodopyrimidine31462-54-147 % similar 2-Bromopyrimidine4595-60-247 % similar 2-Methylpyrimidine5053-43-047 % similar Pyrimidone557-01-747 % similar 1,5-Naphthyridine254-79-541 % similar 2-(Trifluoromethyl)pyrimidine116470-67-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5-Diamino-1,2-benzenedicarbonitrile129365-93-1

Elsewhere

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