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
   -2.4422    0.6771    0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6447   -0.3395   -0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2055   -0.1208   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6118   -1.2049   -0.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9813   -0.9433   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617    0.2916   -0.0045 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6377    1.3271    0.2175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169    1.0955    0.2053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0448    1.6537    0.3728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071    0.5548    0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742   -1.3199   -0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2344   -2.2019   -0.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6264   -1.7910   -0.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0484    2.3214    0.4008 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