Common name
N-(2,6-dimethylphenyl)pyrimidin-4-amine
IUPAC name
N-(2,6-dimethylphenyl)pyrimidin-4-amine
SMILES
N(c1ncncc1)c2c(cccc2C)C
Common name
N-(2,6-dimethylphenyl)pyrimidin-4-amine
IUPAC name
N-(2,6-dimethylphenyl)pyrimidin-4-amine
SMILES
N(c1ncncc1)c2c(cccc2C)C
INCHI
InChI=1S/C12H13N3/c1-9-4-3-5-10(2)12(9)15-11-6-7-13-8-14-11/h3-8H,1-2H3,(H,13,14,15)
FORMULA
C12H13N3
Common name
N-(2,6-dimethylphenyl)pyrimidin-4-amine
IUPAC name
N-(2,6-dimethylphenyl)pyrimidin-4-amine
Molecular weight
199.252
clogP
2.616
clogS
-4.092
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 |
|---|---|---|---|---|
| FDBD01544 | Rilpivirine |
|
Anti-HIV Agents; Reverse Transcriptase Inhibitors; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Non-Nucleoside Reverse Transcriptase Inhibitors; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein; | Treatment of HIV-1 infections in treatment-naive patients with HIV-1 RNA |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xvd_ligand_2_7.mol2 | 2xvd | 0.968254 | -7.54 | N(c1ccncn1)c1ccccc1C | 14 |
| 2xvd_ligand_3_0.mol2 | 2xvd | 0.871429 | -8.05 | CC(C)N(c1ccncn1)c1ccccc1C | 17 |
| 2xvd_ligand_3_25.mol2 | 2xvd | 0.861111 | -7.65 | C(O)c1cc(Nc2ccncn2)c(cc1)C | 16 |
| 3exo_ligand_2_1.mol2 | 3exo | 0.846154 | -7.33 | c1(ccncn1)Nc1ccc(cc1)C | 14 |
| 2hk5_ligand_2_0.mol2 | 2hk5 | 0.837838 | -7.69 | c1(ncncc1)Nc1c(ccc(c1)O)C | 15 |
| 4o76_ligand_2_11.mol2 | 4o76 | 0.833333 | -7.44 | c1(ncncc1C)Nc1ccccc1 | 14 |
| 4ogj_ligand_2_39.mol2 | 4ogj | 0.833333 | -7.41 | c1(ccccc1)Nc1ncncc1C | 14 |
| 4ps5_ligand_2_39.mol2 | 4ps5 | 0.833333 | -7.39 | c1(ccccc1)Nc1ncncc1C | 14 |
100 ,
11
