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
    2.4608   -0.3113    0.4341 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6296    0.4215   -0.2573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1846    0.2906   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124   -0.6629    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7898   -0.7497    0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4971    0.0820   -0.2377 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9382    1.0233   -1.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5999    1.1049   -0.9996 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0824   -1.0760    1.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5227   -0.1573    0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0322    1.2091   -0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1299   -1.3571    1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2599   -1.5088    1.1598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447    1.6918   -1.6391 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