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
    2.4939   -0.1525    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4612   -0.8963    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -0.3900    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2015    0.8828   -0.2797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5088    1.3214   -0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913    0.4603   -0.1731 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2207   -0.8177    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9537   -1.2133    0.3704 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3997    0.8584   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4911   -0.5441    0.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5891   -1.9230    0.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6071    1.5810   -0.4899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7168    2.3210   -0.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0614   -1.4880    0.4326 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