Common name
N-phenylpyrimidin-2-amine
IUPAC name
N-phenylpyrimidin-2-amine
SMILES
c1ccc(cc1)Nc2ncccn2
Common name
N-phenylpyrimidin-2-amine
IUPAC name
N-phenylpyrimidin-2-amine
SMILES
c1ccc(cc1)Nc2ncccn2
INCHI
InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
FORMULA
C10H9N3
Common name
N-phenylpyrimidin-2-amine
IUPAC name
N-phenylpyrimidin-2-amine
Molecular weight
171.199
clogP
1.708
clogS
-3.005
Frequency
0.0003
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 |
|---|---|---|---|---|
| FDBD01810 | Osimertinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP3A4 Inhibitors; | Osimertinib is indicated for the treatment of patients with metastatic epidermal growth factor receptor (EGFR) T790M mutation-positive non-small cell lung cancer (NSCLC), as detected by an FDA- approved test, who have progressed on or after EGFR-TKI therapy. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xnb_ligand_2_3.mol2 | 2xnb | 1 | -7.65 | N(c1ncccn1)c1ccccc1 | 13 |
| 1pxp_ligand_2_1.mol2 | 1pxp | 1 | -7.61 | c1(ccccc1)Nc1ncccn1 | 13 |
| 2vv9_ligand_2_9.mol2 | 2vv9 | 1 | -7.61 | c1(ccccc1)Nc1ncccn1 | 13 |
| 4bbf_ligand_2_12.mol2 | 4bbf | 1 | -7.54 | c1nc(ncc1)Nc1ccccc1 | 13 |
| 2xmy_ligand_2_6.mol2 | 2xmy | 1 | -7.52 | c1nc(ncc1)Nc1ccccc1 | 13 |
| 1urw_ligand_2_7.mol2 | 1urw | 1 | -7.51 | N(c1ncccn1)c1ccccc1 | 13 |
| 4d2s_ligand_2_9.mol2 | 4d2s | 1 | -7.49 | n1c(nccc1)Nc1ccccc1 | 13 |
| 4d1s_ligand_2_4.mol2 | 4d1s | 1 | -7.48 | c1ccc(cc1)Nc1ncccn1 | 13 |
| 2w05_ligand_2_7.mol2 | 2w05 | 1 | -7.47 | c1nc(ncc1)Nc1ccccc1 | 13 |
102 ,
11
