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
    1.9660    1.4694   -0.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5806    0.5744    0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440    0.0236    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387   -0.9205    0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -1.4196    0.8425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2656   -0.9596   -0.1631 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8072   -0.0426   -1.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5636    0.4260   -0.8642 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496    1.8979   -0.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3166    1.7908   -1.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684    0.2731    1.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4120   -1.2482    1.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8763   -2.1657    1.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    0.3010   -1.8352 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