Details of the Drug

General Information of Drug (ID: DM9OD7U)

• Drug Name: 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE
• Synonyms: 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE; 2,4-Diamino-5-phenyl-6-ethylpyrimidine; UNII-KMJ59LN22F; 2,4-Diamino-6-ethyl-5-phenylpyrimidine; TCMDC-124296; Pyrimidine, 2,4-diamino-6-ethyl-5-phenyl-; 27653-49-2; BRN 0190097; KMJ59LN22F; GNF-PF-26; CHEMBL22148; Diamino-5-phenyl-6-ethylpyrimidine, 2,4-; CP7; 2,4-Pyrimidinediamine, 6-ethyl-5-phenyl-; AC1L3PJ1; Oprea1_813184; SCHEMBL3498787; CTK8H9609; BDBM18788; DTXSID70182029; XREDUPOVEQDQQS-UHFFFAOYSA-N; MolPort-002-484-045; ZINC13282257; AKOS003622581; MCULE-8548953211; DB07577

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); 214.27
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H14N4
  IUPAC Name: 6-ethyl-5-phenylpyrimidine-2,4-diamine
  Canonical SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
  InChI: InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
  InChIKey: XREDUPOVEQDQQS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 93114
  CAS Number: 27653-49-2
  UNII: KMJ59LN22F
  DrugBank ID: DB07577
  TTD ID: D0JY6J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Candida Thymidylate synthase (Candi TMP1)	TTU6BFZ	TYSY_CANAL	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.