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
   -2.4887    0.0655   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686    0.8705   -0.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906    0.4320   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2319   -0.9065    0.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -1.3442    0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4776   -0.3772    0.2812 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2069    0.9315    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9276    1.3028    0.0988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5072    0.4615   -0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4467   -1.0133   -0.2714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6354    1.9462   -0.1933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5382   -1.6574   -0.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874   -2.4004    0.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9956    1.6888    0.3303 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