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34014-51-2 molecular structure
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4,6-dichloro-2-(piperidin-1-yl)pyrimidine

ChemBase ID: 797105
Molecular Formular: C9H11Cl2N3
Molecular Mass: 232.10974
Monoisotopic Mass: 231.03300273
SMILES and InChIs

SMILES:
c1c(nc(nc1Cl)N1CCCCC1)Cl
Canonical SMILES:
Clc1nc(nc(c1)Cl)N1CCCCC1
InChI:
InChI=1S/C9H11Cl2N3/c10-7-6-8(11)13-9(12-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKey:
VPXXDXQRYCWVSH-UHFFFAOYSA-N

Cite this record

CBID:797105 http://www.chembase.cn/molecule-797105.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-2-(piperidin-1-yl)pyrimidine
IUPAC Traditional name
4,6-dichloro-2-(piperidin-1-yl)pyrimidine
Synonyms
4,6-Dichloro-2-(piperidin-1-yl)pyriMidine
2-(PIPERIDIN-1-YL)-4,6-DICHLOROPYRIMIDINE
CAS Number
34014-51-2
7038-67-7

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) 3.3353717  LogD (pH = 7.4) 3.335375 
Log P 3.335375  Molar Refractivity 60.9711 cm3
Polarizability 22.10309 Å3 Polar Surface Area 29.02 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

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PATENTS

PATENTS

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