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2-ethyl-4-methyl-6-{3-[1-(pyrrolidin-1-yl)ethyl]phenyl}pyrimidine

ChemBase ID: 341745
Molecular Formular: C19H25N3
Molecular Mass: 295.4219
Monoisotopic Mass: 295.20484782
SMILES and InChIs

SMILES:
n1c(cc(nc1CC)C)c1cc(C(N2CCCC2)C)ccc1
Canonical SMILES:
CCc1nc(C)cc(n1)c1cccc(c1)C(N1CCCC1)C
InChI:
InChI=1S/C19H25N3/c1-4-19-20-14(2)12-18(21-19)17-9-7-8-16(13-17)15(3)22-10-5-6-11-22/h7-9,12-13,15H,4-6,10-11H2,1-3H3
InChIKey:
GJDNAOVGHXMMAP-UHFFFAOYSA-N

Cite this record

CBID:341745 http://www.chembase.cn/molecule-341745.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-ethyl-4-methyl-6-{3-[1-(pyrrolidin-1-yl)ethyl]phenyl}pyrimidine
IUPAC Traditional name
2-ethyl-4-methyl-6-{3-[1-(pyrrolidin-1-yl)ethyl]phenyl}pyrimidine
Synonyms
2-ethyl-4-methyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14062255 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) 0.65266746  LogD (pH = 7.4) 1.9916711 
Log P 4.1660366  Molar Refractivity 91.8318 cm3
Polarizability 36.795822 Å3 Polar Surface Area 29.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.17  LOG S -3.05 
Polar Surface Area 29.02 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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