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
    2.5054    0.4977   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -0.4537   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789   -0.1169   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7246   -1.1576   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469   -0.8190    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974    0.4701    0.3655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5099    1.4804    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2013    1.1612    0.1318 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2036    1.5098   -0.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285    0.2239   -0.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9143   -1.4749   -0.3909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4256   -2.1925   -0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790   -1.6273    0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8437    2.4989    0.4739 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