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
    2.4215    0.3927   -0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6426   -0.3925    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -0.1217    0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6716   -0.9001    0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -0.6543    0.8054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4871    0.3813    0.0810 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6324    1.1402   -0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2904    0.8969   -0.6438 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368    1.2280   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039    0.2533   -0.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1114   -1.1962    0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2076   -1.7214    1.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6723   -1.2933    1.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478    1.9871   -1.2308 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