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N-[(2-ethoxypyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

ChemBase ID: 340955
Molecular Formular: C16H17N5O2
Molecular Mass: 311.33848
Monoisotopic Mass: 311.13822481
SMILES and InChIs

SMILES:
c1(n2c(nc1C)nccc2)C(=O)NCc1c(nccc1)OCC
Canonical SMILES:
CCOc1ncccc1CNC(=O)c1c(C)nc2n1cccn2
InChI:
InChI=1S/C16H17N5O2/c1-3-23-15-12(6-4-7-17-15)10-19-14(22)13-11(2)20-16-18-8-5-9-21(13)16/h4-9H,3,10H2,1-2H3,(H,19,22)
InChIKey:
RCONFXOVAMJGBT-UHFFFAOYSA-N

Cite this record

CBID:340955 http://www.chembase.cn/molecule-340955.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-ethoxypyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
IUPAC Traditional name
N-[(2-ethoxypyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
Synonyms
N-[(2-ethoxypyridin-3-yl)methyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide

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 15.653065  H Acceptors
H Donor LogD (pH = 5.5) 0.23268825 
LogD (pH = 7.4) 0.23336878  Log P 0.23337746 
Molar Refractivity 87.2147 cm3 Polarizability 31.93748 Å3
Polar Surface Area 81.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.75  LOG S -2.96 
Polar Surface Area 81.41 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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