Monomers

4-Vinylpyrimidine

Identifiers

IUPAC name
4-ethenylpyrimidine
InchI
InChI=1S/C6H6N2/c1-2-6-3-4-7-5-8-6/h2-5H,1H2
InchI Key
UMKWZZPKADNTRP-UHFFFAOYSA-N
SMILES
C=Cc1ccncn1
Canonical SMILES
C=CC1=NC=NC=C1
Isomeric SMILES
C=CC1=NC=NC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H6N2
Heavy Atom Count
8
Molecular Weight
106.128
Exact Molecular Weight
106.0531
Valence Electrons
40
Radical Electrons
0
tPSA
25.78
MolLogP
1.1196
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
1
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.3610    0.5256   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5678   -0.4859   -0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1718   -0.3802   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4297    0.8225    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7615    0.8927    0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4614   -0.2474    0.5732 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8325   -1.3994    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5532   -1.5018   -0.0796 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666    1.5429   -0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4017    0.4016   -1.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9829   -1.4837   -0.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1475    1.7264   -0.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1896    1.8784    0.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4714   -2.2918    0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  4 12  1  0
  5 13  1  0
  7 14  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers