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
    2.4188    0.5766   -0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731   -0.4596    0.1242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242   -0.3572    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466    0.8220   -0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8454    0.8377   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5526   -0.2902   -0.0015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969   -1.4410    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -1.4423    0.2610 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0710    1.5611   -0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5103    0.4624   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1136   -1.4243    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1226    1.7198   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3356    1.7779   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4935   -2.3428    0.3890 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