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
    2.2608   -1.0773    0.3484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465   -0.1085   -0.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204    0.0615   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4328    1.0703   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962    1.1818   -0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194    0.3355    0.2962 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743   -0.6481    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438   -0.7552    0.7228 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7403   -1.7543    1.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3184   -1.2306    0.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2021    0.5241   -0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766    1.7451   -1.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3016    1.9772   -1.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2969   -1.3215    1.6234 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