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22746-09-4 molecular structure
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4,6-dimethyl-2-(piperazin-1-yl)pyrimidine

ChemBase ID: 30758
Molecular Formular: C10H16N4
Molecular Mass: 192.26084
Monoisotopic Mass: 192.13749653
SMILES and InChIs

SMILES:
c1(nc(cc(n1)C)C)N1CCNCC1
Canonical SMILES:
Cc1nc(nc(c1)C)N1CCNCC1
InChI:
InChI=1S/C10H16N4/c1-8-7-9(2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
InChIKey:
QLTXFTSBONWMPM-UHFFFAOYSA-N

Cite this record

CBID:30758 http://www.chembase.cn/molecule-30758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dimethyl-2-(piperazin-1-yl)pyrimidine
IUPAC Traditional name
4,6-dimethyl-2-(piperazin-1-yl)pyrimidine
Synonyms
4,6-Dimethyl-2-piperazin-1-yl-pyrimidine
1-(4,6-Dimethylpyrimidin-2-yl)piperazine
4,6-Dimethyl-2-(piperazin-1-yl)-1,3-diazine
4,6-Dimethyl-2-(piperazin-1-yl)pyrimidine 98%
CAS Number
22746-09-4
MDL Number
MFCD00885959
PubChem SID
160994065
PubChem CID
2758651

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2758651 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.3588967  LogD (pH = 7.4) -0.7536085 
Log P 0.5633773  Molar Refractivity 57.0353 cm3
Polarizability 21.367144 Å3 Polar Surface Area 41.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Boiling Point
115-118°C/1mm expand Show data source
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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