Details of the Drug

General Information of Drug (ID: DMI9YGU)

Drug Name
2-Amino-4,6-diphenyl-pyrimidine
Synonyms
4,6-diphenylpyrimidin-2-amine; 40230-24-8; 2-Amino-4,6-diphenylpyrimidine; 4,6-diphenyl-2- Pyrimidinamine; 4,6-Diphenyl-2-pyrimidinamine; CHEMBL261185; KZUCBEYDRUCBCS-UHFFFAOYSA-N; 2-Pyrimidinamine, 4,6-diphenyl-; AK136264; AC1LDIBD; Cambridge id 5109412; AC1Q52JN; CBDivE_006411; MLS001162904; SCHEMBL4904514; 4,6-Diphenylpyrimidine-2-amine; CTK1D4711; DTXSID20347207; MolPort-001-847-654; HMS2833A20; HMS1577A06; 4,6-Diphenyl-2-pyrimidinamine #; ZINC295268; KS-00001N3D; BDBM50375490; AKOS010263933; (4,6-diphenyl-pyrimidin-2-yl)-amine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 247.29
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H13N3
IUPAC Name
4,6-diphenylpyrimidin-2-amine
Canonical SMILES
C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3
InChI
InChI=1S/C16H13N3/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H,(H2,17,18,19)
InChIKey
KZUCBEYDRUCBCS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
619024
CAS Number
40230-24-8
TTD ID
D0QD3O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [1]
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A new generation of adenosine receptor antagonists: from di- to trisubstituted aminopyrimidines. Bioorg Med Chem. 2008 Mar 15;16(6):2741-52.