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
2.3803 -0.7317 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6186 0.3338 0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2144 0.3245 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4519 -0.7852 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7996 -0.7326 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4352 0.4423 -0.5895 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8150 1.5506 -0.1466 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5260 1.4705 0.2024 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9629 -1.6551 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4025 -0.6652 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0303 1.3032 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0831 -1.7389 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3077 -1.6098 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3567 2.4937 -0.0751 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