Home > Compound List > Compound details
56741-95-8 molecular structure
click picture or here to close

2-amino-5-bromo-6-phenyl-1,4-dihydropyrimidin-4-one

ChemBase ID: 163079
Molecular Formular: C10H8BrN3O
Molecular Mass: 266.09402
Monoisotopic Mass: 264.98507389
SMILES and InChIs

SMILES:
c1(c([nH]c(nc1=O)N)c1ccccc1)Br
Canonical SMILES:
O=c1nc(N)[nH]c(c1Br)c1ccccc1
InChI:
InChI=1S/C10H8BrN3O/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15/h1-5H,(H3,12,13,14,15)
InChIKey:
CIUUIPMOFZIWIZ-UHFFFAOYSA-N

Cite this record

CBID:163079 http://www.chembase.cn/molecule-163079.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-bromo-6-phenyl-1,4-dihydropyrimidin-4-one
IUPAC Traditional name
bropirimine
Synonyms
2-Amino-5-bromo-6-phenyl-4(3H)-pyrimidinone
5-Bromo-6-phenylisocytosine
2-Amino-5-bromo-6-phenyl-4-pyrimidinol
2-Amino-5-bromo-6-phenyl-4-pyrimidinone
5-Bromo-2,3-dihydro-2-imino-6-phenyl-4(1H)-pyrimidinone
NSC 149027
PNU 54461
U 54461
U 54461S
2-amino-5-bromo-6-phenyl-4(1H)-pyrimidinone
Bropirimine
2-Amino-5-bromo-4-hydroxy-6-phenylpyrimidine
CAS Number
56741-95-8
MDL Number
MFCD00813905
PubChem SID
162257214
PubChem CID
65457

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 65457 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.484033  H Acceptors
H Donor LogD (pH = 5.5) 0.99693185 
LogD (pH = 7.4) 0.99692875  Log P 0.99693197 
Molar Refractivity 61.2409 cm3 Polarizability 22.646528 Å3
Polar Surface Area 67.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B689250 external link
Bropirimine is an orally active immunostimulant; anticancer agent. Bropirimine is an interferon inducer that is a potentially useful in the the treatment of superficial bladder cancer (transitional cell carcinoma). Studies suggest that Bropirimine has dir

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Akaza, H. et al.: Eur. Urol., 34, 107 (1998)
  • • Tei, Y. et al.: Anticancer Res., 22, 1667 (1998)
  • • Kassouf, W. et al.: Exp. Rev. Anticancer Ther., 4, 1037 (1998)
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle