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
    2.4636   -0.4007   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5625    0.3813   -0.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1539    0.2745   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3164   -0.6746    0.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925   -0.7043    0.8538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5205    0.1705    0.2552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0533    1.1024   -0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423    1.1388   -0.8320 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -1.1702    0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5054   -0.2399   -0.3527 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8697    1.1549   -1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3416   -1.3739    1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0234   -1.4701    1.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7403    1.8114   -1.0776 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