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
    2.5028    0.2858    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -0.6628    0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   -0.3940    0.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740    0.8544   -0.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    1.0789   -0.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5439    0.0263   -0.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -1.2306    0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -1.4308    0.1339 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5748    0.0921    0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1875    1.3005   -0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638   -1.6777    0.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2857    1.7344   -0.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1616    2.0623   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7513   -2.0388    0.1470 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