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N-(1-{2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl}ethyl)-1-methylpiperidine-4-carboxamide

ChemBase ID: 341188
Molecular Formular: C21H35N5O
Molecular Mass: 373.5355
Monoisotopic Mass: 373.28416077
SMILES and InChIs

SMILES:
c1(nc(c(cn1)C(NC(=O)C1CCN(CC1)C)C)C)N(C1CCCCC1)C
Canonical SMILES:
CN1CCC(CC1)C(=O)NC(c1cnc(nc1C)N(C1CCCCC1)C)C
InChI:
InChI=1S/C21H35N5O/c1-15(23-20(27)17-10-12-25(3)13-11-17)19-14-22-21(24-16(19)2)26(4)18-8-6-5-7-9-18/h14-15,17-18H,5-13H2,1-4H3,(H,23,27)
InChIKey:
YVHRDSHNDANFLK-UHFFFAOYSA-N

Cite this record

CBID:341188 http://www.chembase.cn/molecule-341188.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-{2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl}ethyl)-1-methylpiperidine-4-carboxamide
IUPAC Traditional name
N-(1-{2-[cyclohexyl(methyl)amino]-4-methylpyrimidin-5-yl}ethyl)-1-methylpiperidine-4-carboxamide
Synonyms
N-(1-{2-[cyclohexyl(methyl)amino]-4-methyl-5-pyrimidinyl}ethyl)-1-methyl-4-piperidinecarboxamide

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)
Acid pKa 15.373573  H Acceptors
H Donor LogD (pH = 5.5) -0.5493008 
LogD (pH = 7.4) 1.0905454  Log P 2.615022 
Molar Refractivity 110.7649 cm3 Polarizability 42.17967 Å3
Polar Surface Area 61.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.08  LOG S -4.46 
Polar Surface Area 61.36 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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