Home > Compound List > Compound details
55745-88-5 molecular structure
click picture or here to close

4-methoxy-2-(piperazin-1-yl)pyrimidine

ChemBase ID: 265089
Molecular Formular: C9H14N4O
Molecular Mass: 194.23366
Monoisotopic Mass: 194.11676109
SMILES and InChIs

SMILES:
n1c(N2CCNCC2)nccc1OC
Canonical SMILES:
COc1ccnc(n1)N1CCNCC1
InChI:
InChI=1S/C9H14N4O/c1-14-8-2-3-11-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKey:
UWNRWWIRIZDKLH-UHFFFAOYSA-N

Cite this record

CBID:265089 http://www.chembase.cn/molecule-265089.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methoxy-2-(piperazin-1-yl)pyrimidine
IUPAC Traditional name
4-methoxy-2-(piperazin-1-yl)pyrimidine
Synonyms
4-methoxy-2-(piperazin-1-yl)pyrimidine
4-methoxy-2-(1-piperazinyl)pyrimidine
CAS Number
55745-88-5
MDL Number
MFCD08002295
PubChem SID
164320999
PubChem CID
11480987

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11480987 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.172194  LogD (pH = 7.4) -0.5594035 
Log P 0.73742324  Molar Refractivity 54.629 cm3
Polarizability 20.375017 Å3 Polar Surface Area 50.28 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.039 expand Show data source
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