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
   -2.4821   -0.2841    0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615    0.5480   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1395    0.3447   -0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3432   -0.7768    0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7142   -0.9191    0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303    0.0291    0.0932 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0760    1.1298   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503    1.2633   -0.6618 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5524   -0.0947   -0.1013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2894   -1.2188    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9014    1.4450   -0.8760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3124   -1.5574    0.8424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784   -1.8125    1.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7463    1.9036   -0.9276 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