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
    2.5671   -0.4236   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781    0.4375   -0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2000    0.1234   -0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7778    1.0689   -0.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1214    0.7648    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380   -0.5085    0.4232 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655   -1.4301    0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1509   -1.1212    0.2981 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5632   -0.1135   -0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508   -1.4304    0.0735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8181    1.4703   -0.5693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5279    2.0780   -0.4359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8931    1.5194   -0.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7028   -2.4350    0.8042 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