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
    2.5114   -0.2370   -0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4170   -0.8953   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1476   -0.1914   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0152   -0.8921   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -0.1832   -0.5176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1532    1.1271   -0.2493 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0256    1.8136    0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1262    1.1272   -0.0082 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4782    0.8085    0.1764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4536   -0.7430   -0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4175   -1.9512   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9887   -1.9681   -0.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227   -0.7081   -0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0522    2.8931    0.2229 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