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
    2.5213   -0.0920    0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    0.7428   -0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1480    0.3901   -0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3274   -0.8656    0.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829   -1.1927    0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399   -0.2051   -0.0487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0921    1.0444   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7938    1.3493   -0.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2783   -1.1083    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5585    0.2380    0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    1.7681   -0.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4153   -1.6389    0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9772   -2.1915    0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    1.7613   -0.5708 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