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5-fluoro-2-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyrimidin-4-amine

ChemBase ID: 321482
Molecular Formular: C15H18FN3O2
Molecular Mass: 291.3207232
Monoisotopic Mass: 291.13830505
SMILES and InChIs

SMILES:
n1c(c(cnc1c1ccc(cc1)OCCOC)F)N(C)C
Canonical SMILES:
COCCOc1ccc(cc1)c1ncc(c(n1)N(C)C)F
InChI:
InChI=1S/C15H18FN3O2/c1-19(2)15-13(16)10-17-14(18-15)11-4-6-12(7-5-11)21-9-8-20-3/h4-7,10H,8-9H2,1-3H3
InChIKey:
QNSQFQQUUOAIJY-UHFFFAOYSA-N

Cite this record

CBID:321482 http://www.chembase.cn/molecule-321482.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyrimidin-4-amine
IUPAC Traditional name
5-fluoro-2-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyrimidin-4-amine
Synonyms
5-fluoro-2-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylpyrimidin-4-amine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11157851 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) 3.0475745  LogD (pH = 7.4) 3.0585208 
Log P 3.0586624  Molar Refractivity 90.5986 cm3
Polarizability 30.193392 Å3 Polar Surface Area 47.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.62  LOG S -3.56 
Polar Surface Area 47.48 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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