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1-[6-ethyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine

ChemBase ID: 410383
Molecular Formular: C19H29N7O
Molecular Mass: 371.47986
Monoisotopic Mass: 371.24335858
SMILES and InChIs

SMILES:
n1c(nc(cc1N1CCC(NCc2nc(on2)C)CC1)CC)N1CCCC1
Canonical SMILES:
CCc1cc(nc(n1)N1CCCC1)N1CCC(CC1)NCc1noc(n1)C
InChI:
InChI=1S/C19H29N7O/c1-3-15-12-18(23-19(22-15)26-8-4-5-9-26)25-10-6-16(7-11-25)20-13-17-21-14(2)27-24-17/h12,16,20H,3-11,13H2,1-2H3
InChIKey:
PQHFKVCOGHPFJE-UHFFFAOYSA-N

Cite this record

CBID:410383 http://www.chembase.cn/molecule-410383.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[6-ethyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
IUPAC Traditional name
1-[6-ethyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
Synonyms
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.4752004  LogD (pH = 7.4) 2.2330582 
Log P 2.7334566  Molar Refractivity 107.9349 cm3
Polarizability 39.388325 Å3 Polar Surface Area 83.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.38  LOG S -2.93 
Polar Surface Area 83.21 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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