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5-({2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl}methyl)-2-(pyridin-2-yl)pyrimidine

ChemBase ID: 340497
Molecular Formular: C21H26N6
Molecular Mass: 362.47134
Monoisotopic Mass: 362.22189486
SMILES and InChIs

SMILES:
c1(n(ccn1)C)CCC1N(Cc2cnc(nc2)c2ncccc2)CCCC1
Canonical SMILES:
Cn1ccnc1CCC1CCCCN1Cc1cnc(nc1)c1ccccn1
InChI:
InChI=1S/C21H26N6/c1-26-13-11-23-20(26)9-8-18-6-3-5-12-27(18)16-17-14-24-21(25-15-17)19-7-2-4-10-22-19/h2,4,7,10-11,13-15,18H,3,5-6,8-9,12,16H2,1H3
InChIKey:
JFIFZADXLDPFPF-UHFFFAOYSA-N

Cite this record

CBID:340497 http://www.chembase.cn/molecule-340497.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-({2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]piperidin-1-yl}methyl)-2-(pyridin-2-yl)pyrimidine
IUPAC Traditional name
5-({2-[2-(1-methylimidazol-2-yl)ethyl]piperidin-1-yl}methyl)-2-(pyridin-2-yl)pyrimidine
Synonyms
5-({2-[2-(1-methyl-1H-imidazol-2-yl)ethyl]-1-piperidinyl}methyl)-2-(2-pyridinyl)pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13884767 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.0432945  LogD (pH = 7.4) 1.3322532 
Log P 2.7763796  Molar Refractivity 117.2049 cm3
Polarizability 41.558025 Å3 Polar Surface Area 59.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.68  LOG S -2.27 
Polar Surface Area 59.73 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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