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
    2.4945    0.4390    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6388   -0.4985    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239   -0.1494   -0.0156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7453   -1.0844   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0834   -0.7709   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298    0.4948   -0.1256 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128    1.4080    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2078    1.0901    0.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1644    1.4345    0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5692    0.2685    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9916   -1.4954   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4344   -2.0829   -0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8641   -1.4722   -0.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8048    2.4187    0.4431 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