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
    2.4314   -0.0287    0.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5871   -0.5720   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1682   -0.2650   -0.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150    0.6248    0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    0.8766    0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.2340   -0.5285 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9413   -0.6435   -1.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6205   -0.8784   -1.2825 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -0.2975    0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1449    0.7048    1.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0285   -1.2958   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1917    1.1247    1.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315    1.5846    1.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5392   -1.1686   -2.1326 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