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
    2.1986   -0.6579   -0.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3819    0.3442   -0.9757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1203    0.3397   -0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -0.7054    0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4697   -0.7145    1.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2551    0.3741    1.0767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047    1.4091    0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7435    1.3960   -0.3460 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1160   -1.5611   -0.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364   -0.5652   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5878    1.2277   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4013   -1.5759    0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7489   -1.5538    1.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5635    2.2428    0.2228 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