General Information of the Compound
| Compound ID |
CP0387512
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Synonyms |
2,4-Pyrimidinediamine, 6-(4-methyl-1-piperazinyl)-
4940-96-9
6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
AC1LFG9R
AKOS000670805
BAS 06575347
BDBM50304501
CCG-24528
CHEMBL473662
MolPort-002-005-545
SCHEMBL2169898
VU0047515-1
ZINC205303
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C9H16N6
|
||||||||||||||||||
| Molecular Weight |
208.269
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(N)nc(N)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C9H16N6/c1-14-2-4-15(5-3-14)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RBHNSRTVBDSNLG-UHFFFAOYSA-N
|
||||||||||||||||||
| 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 | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT02519, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor
Clinical Information about the Compound