ALA492900Name:
4-[2-Amino-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzonitrileMol. Formula:
C17H20N6M.W.:
308.39Type:
Small moleculeAlogP:
1.66Polar Surface Area:
82.07HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA442865Name:
4-(3-Iodophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C15H18IN5M.W.:
395.25Type:
Small moleculeAlogP:
2.08Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA492288Name:
4-(4-Iodophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C15H18IN5M.W.:
395.25Type:
Small moleculeAlogP:
2.08Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS
ALA492287Name:
4-(3-Chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C15H18ClN5M.W.:
303.80Type:
Small moleculeAlogP:
2.13Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS
ALA493720Name:
4-(4-Chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C15H18ClN5M.W.:
303.80Type:
Small moleculeAlogP:
2.13Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.92DETAILS- ALA522679
Name:
4-(2,6-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C17H23N5O2M.W.:
329.40Type:
Small moleculeAlogP:
1.49Polar Surface Area:
76.74HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA493719
Name:
4-(2-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C16H21N5OM.W.:
299.38Type:
Small moleculeAlogP:
1.49Polar Surface Area:
67.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA494724
Name:
4-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C16H21N5OM.W.:
299.38Type:
Small moleculeAlogP:
1.49Polar Surface Area:
67.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA494648
Name:
4-(4-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C16H21N5OM.W.:
299.38Type:
Small moleculeAlogP:
1.49Polar Surface Area:
67.51HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.93DETAILS - ALA494723
Name:
4-(4-Methylpiperazin-1-yl)-6-o-tolylpyrimidin-2-ylamineMol. Formula:
C16H21N5M.W.:
283.38Type:
Small moleculeAlogP:
1.79Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA492274
Name:
4-(4-Methylpiperazin-1-yl)-6-m-tolylpyrimidin-2-ylamineMol. Formula:
C16H21N5M.W.:
283.38Type:
Small moleculeAlogP:
1.79Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA492885
Name:
4-(4-Methylpiperazin-1-yl)-6-p-tolylpyrimidin-2-ylamineMol. Formula:
C16H21N5M.W.:
283.38Type:
Small moleculeAlogP:
1.79Polar Surface Area:
58.28HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA502104
Name:
6-(4-Methylpiperazin-1-yl)-N4-phenylpyrimidine-2,4-diamineMol. Formula:
C15H20N6M.W.:
284.37Type:
Small moleculeAlogP:
1.55Polar Surface Area:
70.31HBA:
6HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.89DETAILS - ALA492869
Name:
4,6-Bis-(4-methylpiperazin-1-yl)pyrimidin-2-ylamineMol. Formula:
C14H25N7M.W.:
291.40Type:
Small moleculeAlogP:
-0.44Polar Surface Area:
64.76HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA444484
Name:
4-(4-Methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-2-ylamineMol. Formula:
C13H22N6OM.W.:
278.36Type:
Small moleculeAlogP:
-0.35Polar Surface Area:
70.75HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.79DETAILS - ALA444782
Name:
4-(4-Methylpiperazin-1-yl)-6-piperidin-1-ylpyrimidin-2-ylamineMol. Formula:
C14H24N6M.W.:
276.39Type:
Small moleculeAlogP:
0.80Polar Surface Area:
61.52HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.86DETAILS -
Type:
Small moleculeAlogP:
-0.05Polar Surface Area:
64.76HBA:
7HBD:
1#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.84DETAILS - ALA505061
Name:
4-(4-Methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-ylamineMol. Formula:
C13H22N6M.W.:
262.36Type:
Small moleculeAlogP:
0.41Polar Surface Area:
61.52HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA492662
Name:
N4,N4-Diethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamineMol. Formula:
C13H24N6M.W.:
264.38Type:
Small moleculeAlogP:
0.66Polar Surface Area:
61.52HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.86DETAILS - ALA485802
Name:
N4,N4-Dimethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamineMol. Formula:
C11H20N6M.W.:
236.32Type:
Small moleculeAlogP:
-0.12Polar Surface Area:
61.52HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
2Passes Ro3:
NQED Weighted:
0.77DETAILS
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