-
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
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
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
13.412763
|
H Acceptors
|
4
|
H Donor
|
1
|
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
|
6
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
1
|
Log P
|
-0.18
|
LOG S
|
-2.27
|
Polar Surface Area
|
68.52 Å2
|
Rotatable Bonds
|
6
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent