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
   -2.3720   -0.9106   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6613    0.1433   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2328    0.2772   -0.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5372   -0.6807    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947   -0.4970    0.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4473    0.6604    0.1566 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7128    1.6173   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3943    1.4055   -0.5852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4516   -0.9514   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8522   -1.7259    0.4577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2019    0.9569   -0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -1.6003    0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298   -1.2404    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473    2.5457   -0.7865 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