Common name
4-methyl-N-phenylpyrimidin-2-amine
IUPAC name
4-methyl-N-phenylpyrimidin-2-amine
SMILES
Cc1nc(ncc1)Nc1ccccc1
Common name
4-methyl-N-phenylpyrimidin-2-amine
IUPAC name
4-methyl-N-phenylpyrimidin-2-amine
SMILES
Cc1nc(ncc1)Nc1ccccc1
INCHI
InChI=1S/C11H11N3/c1-9-7-8-12-11(13-9)14-10-5-3-2-4-6-10/h2-8H,1H3,(H,12,13,14)
FORMULA
C11H11N3
Common name
4-methyl-N-phenylpyrimidin-2-amine
IUPAC name
4-methyl-N-phenylpyrimidin-2-amine
Molecular weight
185.225
clogP
2.153
clogS
-3.549
Frequency
0.0007
HBond Acceptor
2
HBond Donor
1
Total PolarSurface Area
37.81
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03204 | cyprodinil |
|
Fungicide | Fungicide |
| FDBD03205 | mepanipyrim |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2np8_ligand_2_11.mol2 | 2np8 | 0.727273 | -7.36 | c1cc(ccc1)Nc1ncccn1 | 13 |
| 2vwx_ligand_2_3.mol2 | 2vwx | 0.727273 | -7.36 | N(c1ccccc1)c1ncccn1 | 13 |
| 2vwz_ligand_2_0.mol2 | 2vwz | 0.727273 | -7.35 | c1(ncccn1)Nc1ccccc1 | 13 |
| 2c5n_ligand_2_1.mol2 | 2c5n | 0.727273 | -7.34 | c1nc(ncc1)Nc1ccccc1 | 13 |
| 4im0_ligand_2_49.mol2 | 4im0 | 0.727273 | -7.34 | N(c1ccccc1)c1ncccn1 | 13 |
| 2vx1_ligand_2_0.mol2 | 2vx1 | 0.727273 | -7.33 | c1(ncccn1)Nc1ccccc1 | 13 |
105 ,
11
