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330982-03-1 molecular structure
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2-[4-methyl-6-(piperazin-1-yl)pyrimidin-2-yl]phenol

ChemBase ID: 310660
Molecular Formular: C15H18N4O
Molecular Mass: 270.32962
Monoisotopic Mass: 270.14806122
SMILES and InChIs

SMILES:
c1(nc(N2CCNCC2)cc(n1)C)c1c(O)cccc1
Canonical SMILES:
Cc1cc(nc(n1)c1ccccc1O)N1CCNCC1
InChI:
InChI=1S/C15H18N4O/c1-11-10-14(19-8-6-16-7-9-19)18-15(17-11)12-4-2-3-5-13(12)20/h2-5,10,16,20H,6-9H2,1H3
InChIKey:
LSBFDECOGCIELU-UHFFFAOYSA-N

Cite this record

CBID:310660 http://www.chembase.cn/molecule-310660.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-methyl-6-(piperazin-1-yl)pyrimidin-2-yl]phenol
IUPAC Traditional name
2-[4-methyl-6-(piperazin-1-yl)pyrimidin-2-yl]phenol
Synonyms
2-(4-methyl-6-piperazin-1-ylpyrimidin-2-yl)phenol
CAS Number
330982-03-1
MDL Number
MFCD00298493

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.51132226  LogD (pH = 7.4) 1.1403433 
Log P 1.2798347  Molar Refractivity 90.2033 cm3
Polarizability 30.48606 Å3 Polar Surface Area 61.28 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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