Common name
N-isopropyl-N-methyl-6-phenyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-6-phenyl-pyrazin-2-amine
SMILES
C(C)(C)N(C)c1nc(cnc1)c2ccccc2
Common name
N-isopropyl-N-methyl-6-phenyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-6-phenyl-pyrazin-2-amine
SMILES
C(C)(C)N(C)c1nc(cnc1)c2ccccc2
INCHI
InChI=1S/C14H17N3/c1-11(2)17(3)14-10-15-9-13(16-14)12-7-5-4-6-8-12/h4-11H,1-3H3
FORMULA
C14H17N3
Common name
N-isopropyl-N-methyl-6-phenyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-6-phenyl-pyrazin-2-amine
Molecular weight
227.305
clogP
2.573
clogS
-3.664
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
29.02
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01831 | Selexipag |
|
Antihypertensive Agents; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors; | Selexipag is indicated for the treatment of pulmonary arterial hypertension (PAH) to delay disease progression and reduce risk of hospitalization. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2xj2_ligand_2_0.mol2 | 2xj2 | 0.764706 | -8.08 | c1ccc(cc1)c1nc(cnc1)N1CC[N@H+](CCC1)C | 20 |
| 3f2a_ligand_2_0.mol2 | 3f2a | 0.764706 | -8.01 | c1(nc(cnc1)N1CC[N@H+](CCC1)C)c1ccccc1 | 20 |
| 2xj1_ligand_2_3.mol2 | 2xj1 | 0.75641 | -7.23 | Nc1nc(c2ccccc2)cnc1 | 13 |
| 4dfn_ligand_1_0.mol2 | 4dfn | 0.703704 | -7.33 | c1(ccccc1)c1ncc(nc1)N | 13 |
101 ,
11
