NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
2-amino-6-(4-{[2-(piperidin-1-yl)pyrimidin-5-yl]methyl}piperazin-1-yl)-3,4-dihydropyrimidin-4-one
|
|
|
IUPAC Traditional name
|
2-amino-6-(4-{[2-(piperidin-1-yl)pyrimidin-5-yl]methyl}piperazin-1-yl)-3H-pyrimidin-4-one
|
|
|
Synonyms
|
2-amino-6-{4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl}pyrimidin-4(3H)-one
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
9.054969
|
H Acceptors
|
8
|
H Donor
|
2
|
LogD (pH = 5.5)
|
-0.3422875
|
LogD (pH = 7.4)
|
0.74935746
|
Log P
|
0.8142445
|
Molar Refractivity
|
114.9974 cm3
|
Polarizability
|
38.79118 Å3
|
Polar Surface Area
|
102.98 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
2
|
Log P
|
0.89
|
LOG S
|
-2.66
|
Polar Surface Area
|
107.27 Å2
|
Rotatable Bonds
|
4
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent