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
2.5114 -0.2370 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4170 -0.8953 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1476 -0.1914 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0152 -0.8921 -0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1938 -0.1832 -0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1532 1.1271 -0.2493 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0256 1.8136 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1262 1.1272 -0.0082 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4782 0.8085 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4536 -0.7430 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4175 -1.9512 -0.4917 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9887 -1.9681 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1227 -0.7081 -0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0522 2.8931 0.2229 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