Details of the Drug

General Information of Drug (ID: DMMU6WQ)

• Drug Name: Tetrahydro-pyrimidin-2-ylideneamine
• Synonyms: 1,4,5,6-tetrahydropyrimidin-2-amine; 41078-65-3; 1,4,5,6-tetrahydro-2-Pyrimidinamine; 1,4,5,6-tetrahydro-pyrimidin-2-ylamine; 2-amino-1,4,5,6-tetrahydropyrimidine; CHEMBL158626; Tetrahydro-pyrimidin-2-ylideneamine; Tetrahydropyrimidinimin; 2(1h)-pyrimidinimine; AC1MMKIU; tetrahydro-2(1H)-pyrimidinimine; DTXSID90391075; PEHDFSFYZKSKGH-UHFFFAOYSA-N; ZINC1728936; hexahydro-pyrimidin-2-ylidene-amine; BDBM50049248; AKOS024618750; AKOS011559938; MCULE-1407334516; 2-amino-3,4,5,6-tetrahydropyrimidine

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); 99.13
  Logarithm of the Partition Coefficient (xlogp); -1
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C4H9N3
  IUPAC Name: 1,4,5,6-tetrahydropyrimidin-2-amine
  Canonical SMILES: C1CNC(=NC1)N
  InChI: InChI=1S/C4H9N3/c5-4-6-2-1-3-7-4/h1-3H2,(H3,5,6,7)
  InChIKey: PEHDFSFYZKSKGH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3287412
  CAS Number: 41078-65-3
  TTD ID: D08JSR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase brain (NOS1)	TTZUFI5	NOS1_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
Nitric-oxide synthase brain (NOS1)	DTT	NOS1	5.20E-01	0.02	0.07

References

• [1] 2-Iminopiperidine and other 2-iminoazaheterocycles as potent inhibitors of human nitric oxide synthase isoforms. J Med Chem. 1996 Feb 2;39(3):669-72.