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
    2.4522   -0.2026    0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5516    0.6996    0.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1431    0.3712   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3218   -0.9056    0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6916   -1.1248    0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313   -0.1019   -0.2326 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641    1.1511   -0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7552    1.3813   -0.2789 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2600   -1.2274    0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4938    0.0996    0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8845    1.7425   -0.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3687   -1.7048    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0223   -2.1542    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7674    1.9760   -0.5642 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