Home > Compound List > Compound details
933685-83-7 molecular structure
click picture or here to close

(2-chloropyrimidin-5-yl)methanamine

ChemBase ID: 797214
Molecular Formular: C5H6ClN3
Molecular Mass: 143.57424
Monoisotopic Mass: 143.02502489
SMILES and InChIs

SMILES:
C(N)c1cnc(nc1)Cl
Canonical SMILES:
NCc1cnc(nc1)Cl
InChI:
InChI=1S/C5H6ClN3/c6-5-8-2-4(1-7)3-9-5/h2-3H,1,7H2
InChIKey:
MHCBYPRBJFPLPP-UHFFFAOYSA-N

Cite this record

CBID:797214 http://www.chembase.cn/molecule-797214.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-chloropyrimidin-5-yl)methanamine
IUPAC Traditional name
(2-chloropyrimidin-5-yl)methanamine
Synonyms
(2-ChloropyriMidin-5-yl)MethanaMine
CAS Number
933685-83-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7690916  LogD (pH = 7.4) -1.3435727 
Log P 0.08405424  Molar Refractivity 36.6943 cm3
Polarizability 13.927326 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source
98% 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