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N-[2-(4-phenylpyrimidin-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

ChemBase ID: 370708
Molecular Formular: C21H22N6
Molecular Mass: 358.43958
Monoisotopic Mass: 358.19059473
SMILES and InChIs

SMILES:
n12c(nc(cc1NCCc1nc(c3ccccc3)ccn1)C(C)C)ccn2
Canonical SMILES:
CC(c1cc(NCCc2nccc(n2)c2ccccc2)n2c(n1)ccn2)C
InChI:
InChI=1S/C21H22N6/c1-15(2)18-14-21(27-20(26-18)10-13-24-27)23-12-9-19-22-11-8-17(25-19)16-6-4-3-5-7-16/h3-8,10-11,13-15,23H,9,12H2,1-2H3
InChIKey:
ONDSWXMIZJHZLD-UHFFFAOYSA-N

Cite this record

CBID:370708 http://www.chembase.cn/molecule-370708.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[2-(4-phenylpyrimidin-2-yl)ethyl]-5-(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
IUPAC Traditional name
5-isopropyl-N-[2-(4-phenylpyrimidin-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Synonyms
5-isopropyl-N-[2-(4-phenyl-2-pyrimidinyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Polar Surface Area 68.0 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 3.65  LOG S -4.93 
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 4.1624775  LogD (pH = 7.4) 4.163269 
Log P 4.163279  Molar Refractivity 117.2648 cm3
Polarizability 41.351765 Å3 Polar Surface Area 68.0 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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