Details of the Drug

General Information of Drug (ID: DM8FUZL)

Drug Name

6-Benzylamino-1H-pyrimidine-2,4-dione

Synonyms

CHEMBL86482; 6-(Benzylamino)uracil; 6-(benzylamino)pyrimidine-2,4(1H,3H)-dione; 5759-80-8; 6-benzylaminouracil; NSC210509; 6-Benzylamino-1H-pyrimidine-2,4-dione; 6-(benzylamino)-1H-pyrimidine-2,4-dione; AC1L7DCT; ChemDiv2_000645; Oprea1_763542; Oprea1_040277; MLS001143323; SCHEMBL7563397; DTXSID80308975; MolPort-002-324-866; ZINC169533; HMS2799M09; HMS1370N07; STK385017; BDBM50022154; AKOS000627145; MCULE-8157405299; NSC-210509; CCG-107711; SMR000473158; ST50859108; EU-0040004; 6-(benzylamino)-2,4(1H,3H)-pyrimidinedione

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

217.22

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C11H11N3O2
IUPAC Name: 6-(benzylamino)-1H-pyrimidine-2,4-dione
Canonical SMILES: C1=CC=C(C=C1)CNC2=CC(=O)NC(=O)N2
InChI: InChI=1S/C11H11N3O2/c15-10-6-9(13-11(16)14-10)12-7-8-4-2-1-3-5-8/h1-6H,7H2,(H3,12,13,14,15,16)
InChIKey: NORSBFZJRBPBQZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 308654
CAS Number: 5759-80-8
TTD ID: D0A6LX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase (TOP)	TT2GPK3	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Inhibitors of Bacillus subtilis DNA polymerase III. Influence of modifications in the pyrimidine ring of anilino- and (benzylamino)pyrimidines. J Med Chem. 1986 May;29(5):676-81.