Common name
N-isopropyl-N-methyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-pyrazin-2-amine
SMILES
C(C)(C)N(C)c1nccnc1
Common name
N-isopropyl-N-methyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-pyrazin-2-amine
SMILES
C(C)(C)N(C)c1nccnc1
INCHI
InChI=1S/C8H13N3/c1-7(2)11(3)8-6-9-4-5-10-8/h4-7H,1-3H3
FORMULA
C8H13N3
Common name
N-isopropyl-N-methyl-pyrazin-2-amine
IUPAC name
N-isopropyl-N-methyl-pyrazin-2-amine
Molecular weight
151.209
clogP
0.859
clogS
-1.727
Frequency
0.0003
HBond Acceptor
3
HBond Donor
0
Total PolarSurface Area
29.02
Number of Rings
1
Rotatable Bond
2
| 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 |
|---|---|---|---|---|---|
| 3at3_ligand_1_1.mol2 | 3at3 | 0.791667 | -6.94 | N1(CCCC1)c1nccnc1 | 11 |
| 3at4_ligand_1_1.mol2 | 3at4 | 0.791667 | -6.94 | n1ccnc(c1)N1CCCC1 | 11 |
| 2psj_ligand_2_1.mol2 | 2psj | 0.770833 | -5.55 | CC(=O)Nc1cnccn1 | 10 |
| 1z6j_ligand_2_52.mol2 | 1z6j | 0.745098 | -6.03 | [nH]1c(=O)c(ncc1)NC(C)C | 11 |
| 4hf4_ligand_1_4.mol2 | 4hf4 | 0.716981 | -6.68 | c1nccnc1N1CCCCC1 | 12 |
| 4tpm_ligand_1_1.mol2 | 4tpm | 0.716981 | -6.64 | C1CCN(CC1)c1nccnc1 | 12 |
| 4wiv_ligand_2_5.mol2 | 4wiv | 0.678571 | -5.99 | c1c([n+]2c([nH+]1)c[nH]cc2)NC(C)(C)C | 14 |
101 ,
11
