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634468-72-7 molecular structure
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4-(piperazin-1-yl)pyrimidine dihydrochloride

ChemBase ID: 293211
Molecular Formular: C8H14Cl2N4
Molecular Mass: 237.12956
Monoisotopic Mass: 236.05955183
SMILES and InChIs

SMILES:
Cl.Cl.c1(N2CCNCC2)ncncc1
Canonical SMILES:
N1CCN(CC1)c1ccncn1.Cl.Cl
InChI:
InChI=1S/C8H12N4.2ClH/c1-2-10-7-11-8(1)12-5-3-9-4-6-12;;/h1-2,7,9H,3-6H2;2*1H
InChIKey:
HJUFMYKBVXHYEN-UHFFFAOYSA-N

Cite this record

CBID:293211 http://www.chembase.cn/molecule-293211.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(piperazin-1-yl)pyrimidine dihydrochloride
IUPAC Traditional name
4-(piperazin-1-yl)pyrimidine dihydrochloride
Synonyms
4-(Piperazin-1-yl)pyrimidine dihydrochloride
CAS Number
634468-72-7
PubChem SID
180678742
PubChem CID
66570452

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD250279 Please log in.
Data Source Data ID
PubChem 66570452 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9049191  LogD (pH = 7.4) -1.1594751 
Log P 0.21630849  Molar Refractivity 48.2198 cm3
Polarizability 17.83704 Å3 Polar Surface Area 41.05 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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