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
    2.5577    0.4702    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6205   -0.3954    0.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2045   -0.1171    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8021   -1.0026    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1236   -0.7728    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4182    0.3941   -0.5131 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4282    1.2687   -0.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    1.0389   -0.5327 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2853    1.3834   -0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    0.2932    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015   -1.3387    0.8998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5206   -1.9228    0.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9103   -1.4892    0.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7266    2.1903   -1.3118 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