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
   -2.4555    0.6533   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469   -0.3722   -0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090   -0.1213   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6672   -1.1704   -0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048   -0.9346    0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.3230    0.3409 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5770    1.3650    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713    1.1162    0.1221 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729    1.6424   -0.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5082    0.5124   -0.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110   -1.3756   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3082   -2.2048   -0.1311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6749   -1.7962    0.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9781    2.3630    0.4415 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