Common name
pyrimidine
IUPAC name
pyrimidine
SMILES
n1cnccc1
Common name
pyrimidine
IUPAC name
pyrimidine
SMILES
n1cnccc1
INCHI
InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
FORMULA
C4H4N2
Common name
pyrimidine
IUPAC name
pyrimidine
Molecular weight
80.088
clogP
1.189
clogS
-0.927
Frequency
0.0161
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
25.78
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02823 | sulfosulfuron |
|
Herbicide | Herbicide |
| FDBD02883 | pyribenzoxim |
|
Herbicide | Herbicide |
| FDBD02884 | pyriftalid |
|
Herbicide | Herbicide |
| FDBD02977 | azoxystrobin |
|
Fungicide | Fungicide |
| FDBD03200 | fenarimol |
|
Fungicide | Fungicide |
| FDBD03202 | nuarimol |
|
Fungicide | Fungicide |
| FDBD03203 | triarimol |
|
Fungicide | Fungicide |
47 ,
5
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2gu8_ligand_frag_1.mol2 | 2gu8 | 1 | -5.97 | c1ccncn1 | 6 |
| 2e2b_ligand_frag_5.mol2 | 2e2b | 1 | -5.96 | n1cnccc1 | 6 |
| 4ph4_ligand_frag_1.mol2 | 4ph4 | 1 | -5.96 | c1ncncc1 | 6 |
| 2c5y_ligand_frag_3.mol2 | 2c5y | 1 | -5.95 | c1ncncc1 | 6 |
| 1pxm_ligand_frag_2.mol2 | 1pxm | 1 | -5.94 | c1ncccn1 | 6 |
| 4nbn_ligand_frag_2.mol2 | 4nbn | 1 | -5.93 | c1ccncn1 | 6 |
| 1pxp_ligand_frag_0.mol2 | 1pxp | 1 | -5.92 | c1ncncc1 | 6 |
270 ,
28
