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
    2.5063   -0.1205   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5252    0.5772   -0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1500    0.2938   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854   -0.6985    0.5915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6437   -0.9051    0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5361   -0.0988    0.2769 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1384    0.8843   -0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8495    1.0578   -0.7966 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3161   -0.9298    0.5786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5461    0.0721   -0.3334 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7629    1.3837   -1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4401   -1.3365    1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9029   -1.7071    1.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907    1.5274   -1.0213 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