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
   -2.4243   -0.5136    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5682    0.4187    0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601    0.3083    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -0.7791   -0.5436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7270   -0.7756   -0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711    0.2577   -0.3801 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9490    1.3056    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6415    1.3273    0.5221 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755   -0.3538    0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -1.3935   -0.4219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9113    1.3200    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528   -1.6100   -0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1316   -1.6254   -1.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6314    2.1134    0.5765 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