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
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
-2.4555 0.6533 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6469 -0.3722 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2090 -0.1213 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6672 -1.1704 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0048 -0.9346 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4220 0.3230 0.3409 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5770 1.3650 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2713 1.1162 0.1221 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0729 1.6424 -0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5082 0.5124 -0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0110 -1.3756 -0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3082 -2.2048 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6749 -1.7962 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 2.3630 0.4415 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