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N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-methoxypropanamide

ChemBase ID: 340425
Molecular Formular: C13H18N4O2
Molecular Mass: 262.30762
Monoisotopic Mass: 262.14297584
SMILES and InChIs

SMILES:
c12nc(cn1cccn2)C(NC(=O)CCOC)CC
Canonical SMILES:
COCCC(=O)NC(c1cn2c(n1)nccc2)CC
InChI:
InChI=1S/C13H18N4O2/c1-3-10(15-12(18)5-8-19-2)11-9-17-7-4-6-14-13(17)16-11/h4,6-7,9-10H,3,5,8H2,1-2H3,(H,15,18)
InChIKey:
CHDZSSHAYQWHEM-UHFFFAOYSA-N

Cite this record

CBID:340425 http://www.chembase.cn/molecule-340425.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-methoxypropanamide
IUPAC Traditional name
N-(1-{imidazo[1,2-a]pyrimidin-2-yl}propyl)-3-methoxypropanamide
Synonyms
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-methoxypropanamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13873207 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.412763  H Acceptors
H Donor LogD (pH = 5.5) -0.013449185 
LogD (pH = 7.4) -0.012453428  Log P -0.012440338 
Molar Refractivity 72.3553 cm3 Polarizability 27.219177 Å3
Polar Surface Area 68.52 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.18  LOG S -2.27 
Polar Surface Area 68.52 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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