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 |
|---|---|---|---|---|---|
| 2xnb_ligand_2_3.mol2 | 2xnb | 0.727273 | -7.65 | N(c1ncccn1)c1ccccc1 | 13 |
| 1pxp_ligand_2_1.mol2 | 1pxp | 0.727273 | -7.61 | c1(ccccc1)Nc1ncccn1 | 13 |
| 2vv9_ligand_2_9.mol2 | 2vv9 | 0.727273 | -7.61 | c1(ccccc1)Nc1ncccn1 | 13 |
| 4bbf_ligand_2_12.mol2 | 4bbf | 0.727273 | -7.54 | c1nc(ncc1)Nc1ccccc1 | 13 |
| 2xmy_ligand_2_6.mol2 | 2xmy | 0.727273 | -7.52 | c1nc(ncc1)Nc1ccccc1 | 13 |
| 1urw_ligand_2_7.mol2 | 1urw | 0.727273 | -7.51 | N(c1ncccn1)c1ccccc1 | 13 |
| 4d2s_ligand_2_9.mol2 | 4d2s | 0.727273 | -7.49 | n1c(nccc1)Nc1ccccc1 | 13 |
| 4d1s_ligand_2_4.mol2 | 4d1s | 0.727273 | -7.48 | c1ccc(cc1)Nc1ncccn1 | 13 |
| 2w05_ligand_2_7.mol2 | 2w05 | 0.727273 | -7.47 | c1nc(ncc1)Nc1ccccc1 | 13 |
105 ,
11
