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
    2.4821    0.1424   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788   -0.6716   -0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0887   -0.3868   -0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2361    0.8403    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855    1.0878    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4970    0.1376    0.2399 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1391   -1.0512   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8688   -1.3371   -0.5684 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5143   -0.1227   -0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3239    1.1163   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7199   -1.6530   -1.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4942    1.6144    0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8415    2.0584    0.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9339   -1.7747   -0.4530 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