Home > Compound List > Compound details
94052-15-0 molecular structure
click picture or here to close

4-chloro-2-methyl-6-(piperidin-1-yl)pyrimidine

ChemBase ID: 44589
Molecular Formular: C10H14ClN3
Molecular Mass: 211.69126
Monoisotopic Mass: 211.08762514
SMILES and InChIs

SMILES:
c1(nc(nc(c1)Cl)C)N1CCCCC1
Canonical SMILES:
Clc1cc(nc(n1)C)N1CCCCC1
InChI:
InChI=1S/C10H14ClN3/c1-8-12-9(11)7-10(13-8)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKey:
CEVUHJNQSSYUQQ-UHFFFAOYSA-N

Cite this record

CBID:44589 http://www.chembase.cn/molecule-44589.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-methyl-6-(piperidin-1-yl)pyrimidine
IUPAC Traditional name
4-chloro-2-methyl-6-(piperidin-1-yl)pyrimidine
Synonyms
4-Chloro-2-methyl-6-piperidinopyrimidine
4-Chloro-2-methyl-6-piperidin-1-ylpyrimidine
CAS Number
94052-15-0
MDL Number
MFCD00466217
PubChem SID
162049352
PubChem CID
42544324

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 42544324 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0246115  LogD (pH = 7.4) 3.036252 
Log P 3.0364025  Molar Refractivity 60.0969 cm3
Polarizability 21.86658 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
66 - 68 °C expand Show data source
66-68°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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