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
-2.5401 0.2679 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5694 -0.5938 -0.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1910 -0.1847 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8518 -1.0590 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1484 -0.6481 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3588 0.6955 0.3309 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 1.5568 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0902 1.1489 0.0237 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3247 1.3148 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5447 -0.0645 -0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7815 -1.6484 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6530 -2.1192 0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9892 -1.3123 0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5019 2.6460 0.2324 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