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
    2.4920    0.5790   -0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6021    0.0572    0.5134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2175   -0.0289    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7398   -0.5802    0.9709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0437   -0.6389    0.5667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4304   -0.1757   -0.6229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948    0.3555   -1.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091    0.4280   -1.0547 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391    0.6554   -0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2086    0.9676   -1.2628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   -0.3201    1.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4385   -0.9621    1.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150   -1.0673    1.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    0.7305   -2.3810 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