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
    2.3803   -0.7317    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6186    0.3338    0.5424 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2144    0.3245    0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4519   -0.7852   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996   -0.7326   -0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4352    0.4423   -0.5895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150    1.5506   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260    1.4705    0.2024 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9629   -1.6551    0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025   -0.6652    0.8123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303    1.3032    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0831   -1.7389   -0.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3077   -1.6098   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567    2.4937   -0.0751 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