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5-ethyl-2,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

ChemBase ID: 341545
Molecular Formular: C15H19N5S
Molecular Mass: 301.40986
Monoisotopic Mass: 301.13611663
SMILES and InChIs

SMILES:
n12c(c(c(n1)C)C)nc(cc2NCCc1nccs1)CC
Canonical SMILES:
CCc1cc(NCCc2nccs2)n2c(n1)c(C)c(n2)C
InChI:
InChI=1S/C15H19N5S/c1-4-12-9-13(16-6-5-14-17-7-8-21-14)20-15(18-12)10(2)11(3)19-20/h7-9,16H,4-6H2,1-3H3
InChIKey:
NQCMAPSTLBWEKA-UHFFFAOYSA-N

Cite this record

CBID:341545 http://www.chembase.cn/molecule-341545.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-2,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
IUPAC Traditional name
5-ethyl-2,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
Synonyms
5-ethyl-2,3-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14034205 external link Add to cart
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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) 2.3820868  LogD (pH = 7.4) 2.3851452 
Log P 2.3851845  Molar Refractivity 95.9192 cm3
Polarizability 31.63159 Å3 Polar Surface Area 55.11 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.47  LOG S -4.36 
Polar Surface Area 55.11 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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