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N-(3,4-dimethoxyphenyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-amine

ChemBase ID: 370406
Molecular Formular: C20H28N4O2
Molecular Mass: 356.46192
Monoisotopic Mass: 356.22122616
SMILES and InChIs

SMILES:
c1(N2CC(Nc3cc(c(cc3)OC)OC)CCC2)nc(ncc1CC)C
Canonical SMILES:
COc1cc(ccc1OC)NC1CCCN(C1)c1nc(C)ncc1CC
InChI:
InChI=1S/C20H28N4O2/c1-5-15-12-21-14(2)22-20(15)24-10-6-7-17(13-24)23-16-8-9-18(25-3)19(11-16)26-4/h8-9,11-12,17,23H,5-7,10,13H2,1-4H3
InChIKey:
YVERMVKSBSNGMA-UHFFFAOYSA-N

Cite this record

CBID:370406 http://www.chembase.cn/molecule-370406.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(3,4-dimethoxyphenyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-amine
IUPAC Traditional name
N-(3,4-dimethoxyphenyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-amine
Synonyms
N-(3,4-dimethoxyphenyl)-1-(5-ethyl-2-methyl-4-pyrimidinyl)-3-piperidinamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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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) 2.8756795  LogD (pH = 7.4) 3.6762397 
Log P 3.698504  Molar Refractivity 106.1514 cm3
Polarizability 39.2946 Å3 Polar Surface Area 59.51 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.47  LOG S -3.91 
Polar Surface Area 59.51 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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