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
   -2.3678    0.9803    0.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6895   -0.0670   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2527   -0.0878   -0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -1.1403   -0.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9130   -1.1820   -0.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557   -0.1190    0.3540 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6985    0.9301    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723    0.9331    0.5284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8734    1.7957    0.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    1.0726   -0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1771   -0.8846   -0.8082 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829   -1.9725   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5357   -2.0114   -0.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964    1.7529    1.2447 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