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
    2.3991   -0.8054    0.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6815    0.1717   -0.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377    0.0686    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5192    1.0841   -0.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8928    1.0306   -0.4699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4634   -0.0504    0.0895 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7512   -1.0627    0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4073   -0.9786    0.5753 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9184   -1.6540    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4663   -0.7357    0.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1107    1.0522   -0.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696    1.9697   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4662    1.8446   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2441   -1.9348    1.0674 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