General Information of the Compound
| Compound ID |
CP0415274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-Methyl-piperazin-1-yl)-5-(2,3,5-trichloro-phenyl)-pyrimidin-4-ylamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
130800-90-7
2-(4-Methyl-1-piperazinyl)-5-(2,3,5-trichlorophenyl)-4-pyrimidinamine
2-(4-methylpiperazin-1-yl)-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
4-Amino-2-(4-methyl-1-piperazinyl)-5-(2,3,5-trichlorophenyl)pyrimidine
4-Pyrimidinamine, 2-(4-methyl-1-piperazinyl)-5-(2,3,5-trichlorophenyl)-
619C89
AC1L1TYB
AC1Q3LMC
BW 619C89
BW-619C89
BW619C89
C16H17Cl3N4
CHEBI:34977
CHEMBL28854
DTXSID20156750
MLS006010764
MolPort-023-277-047
OON9AVW1T3
SCHEMBL135888
SIPATRIGINE
Sipatrigine
Sipatrigine [INN:BAN]
UNII-OON9AVW1T3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H16Cl3N5
|
||||||||||||||||||
| Molecular Weight |
372.687
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ncc(c(N)n1)-c1cc(Cl)cc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H16Cl3N5/c1-22-2-4-23(5-3-22)15-20-8-11(14(19)21-15)10-6-9(16)7-12(17)13(10)18/h6-8H,2-5H2,1H3,(H2,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDOCBJADCWMDGL-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
130800-90-7
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Clinical Information about the Compound
Drug 1 ( SIPATRIGINE )
| Drug Name | SIPATRIGINE | ||
|---|---|---|---|
| Indication | |||
| Target(s) | |||