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
    2.4734    0.2988    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902   -0.6622   -0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1824   -0.3632   -0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3768    0.8868    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7400    1.0587    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5375    0.0038   -0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0321   -1.2373   -0.2184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7114   -1.3836   -0.2082 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5441    0.0684    0.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2398    1.3405    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9161   -1.6777   -0.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2951    1.7354    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1553    2.0264    0.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880   -2.0948   -0.3523 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