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
    2.3587   -0.7500   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1559   -1.2674   -0.2895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0012   -0.4295   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0432    0.9360    0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    1.6925    0.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2619    1.0619    0.3973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3307   -0.2776    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2434   -1.0038    0.0291 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4982    0.2923   -0.2641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2088   -1.4194   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0171   -2.3438   -0.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    1.4676    0.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0021    2.7547    0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3392   -0.7134    0.3146 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