Details of the Drug

General Information of Drug (ID: DMYAS2V)

• Drug Name: 6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine
• Synonyms: CHEMBL473662; 6-(4-Methylpiperazin-1-yl)pyrimidine-2,4-diamine; BAS 06575347; AC1LFG9R; 2,4-Pyrimidinediamine, 6-(4-methyl-1-piperazinyl)-; SCHEMBL2169898; MolPort-002-005-545; ZINC205303; BDBM50304501; CCG-24528; AKOS000670805; 4940-96-9; VU0047515-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 208.26
  Logarithm of the Partition Coefficient (xlogp); -0.2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C9H16N6
  IUPAC Name: 6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
  Canonical SMILES: CN1CCN(CC1)C2=NC(=NC(=C2)N)N
  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)
  InChIKey: RBHNSRTVBDSNLG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 753256
  TTD ID: D0UK0F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine H4 receptor (H4R)	TTXJ178	HRH4_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H4 receptor (H4R)	DTT	HRH4	1.32E-01	0.1	0.9

References

• [1] 2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization. Bioorg Med Chem. 2009 Oct 15;17(20):7186-96.