Home > Compound List > Compound details
4319-85-1 molecular structure
click picture or here to close

5-bromo-4-methoxypyrimidine

ChemBase ID: 294732
Molecular Formular: C5H5BrN2O
Molecular Mass: 189.01
Monoisotopic Mass: 187.95852479
SMILES and InChIs

SMILES:
COc1ncncc1Br
Canonical SMILES:
COc1ncncc1Br
InChI:
InChI=1S/C5H5BrN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChIKey:
GGTJMKOJYGIIKR-UHFFFAOYSA-N

Cite this record

CBID:294732 http://www.chembase.cn/molecule-294732.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-4-methoxypyrimidine
IUPAC Traditional name
5-bromo-4-methoxypyrimidine
Synonyms
5-Bromo-4-methoxypyrimidine
CAS Number
4319-85-1
MDL Number
MFCD00234066
PubChem SID
180680263
PubChem CID
12270081

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD254928 Please log in.
Data Source Data ID
PubChem 12270081 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.2550536  LogD (pH = 7.4) 1.2552716 
Log P 1.2552743  Molar Refractivity 37.1218 cm3
Polarizability 14.087885 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle