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N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-{6-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine

ChemBase ID: 341471
Molecular Formular: C18H24N6S
Molecular Mass: 356.48836
Monoisotopic Mass: 356.1783158
SMILES and InChIs

SMILES:
c12c(N3CCC(N(Cc4cn(nc4)C)C)CC3)ncnc1sc(c2)C
Canonical SMILES:
CN(C1CCN(CC1)c1ncnc2c1cc(s2)C)Cc1cnn(c1)C
InChI:
InChI=1S/C18H24N6S/c1-13-8-16-17(19-12-20-18(16)25-13)24-6-4-15(5-7-24)22(2)10-14-9-21-23(3)11-14/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKey:
IXTBCVQNBPLRPL-UHFFFAOYSA-N

Cite this record

CBID:341471 http://www.chembase.cn/molecule-341471.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-{6-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine
IUPAC Traditional name
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-{6-methylthieno[2,3-d]pyrimidin-4-yl}piperidin-4-amine
Synonyms
N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -0.23786932  LogD (pH = 7.4) 1.4678053 
Log P 2.8207238  Molar Refractivity 114.7805 cm3
Polarizability 38.799503 Å3 Polar Surface Area 50.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.91  LOG S -2.42 
Polar Surface Area 50.08 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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