ALA4572732Name:
4-Ethoxy-5-methyl-1-(naphthalen-2-ylmethyl)pyrimidin-2(1H)-oneMol. Formula:
C18H18N2O2M.W.:
294.35Type:
UnknownAlogP:
3.15Polar Surface Area:
44.12HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS
ALA4565182Name:
1-Benzyl-4-(benzylamino)-5-methylpyrimidin-2(1H)-oneMol. Formula:
C19H19N3OM.W.:
305.38Type:
UnknownAlogP:
3.21Polar Surface Area:
46.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.79DETAILS
Type:
UnknownAlogP:
-0.79Polar Surface Area:
196.79HBA:
6HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.19DETAILS
Type:
UnknownAlogP:
-0.69Polar Surface Area:
196.79HBA:
7HBD:
6#RO5 Violations:
2#Rotatable Bonds:
16Passes Ro3:
NQED Weighted:
0.16DETAILS
Type:
UnknownAlogP:
-1.75Polar Surface Area:
150.70HBA:
7HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.24DETAILS- ALA4541600
Name:
4-Ethoxy-5-methyl-1-(4-(trifluoromethyl)benzyl)pyrimidin-2(1H)-oneMol. Formula:
C15H15F3N2O2M.W.:
312.29Type:
UnknownAlogP:
3.02Polar Surface Area:
44.12HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.87DETAILS - ALA4530826
Name:
1-benzyl-5-methyl-4-(n-octylamino)pyrimidin-2(1H)-oneMol. Formula:
C20H29N3OM.W.:
327.47Type:
UnknownAlogP:
4.37Polar Surface Area:
46.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.66DETAILS -
Type:
UnknownAlogP:
-0.14Polar Surface Area:
130.39HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
9Passes Ro3:
NQED Weighted:
0.48DETAILS -
Type:
UnknownAlogP:
1.58Polar Surface Area:
44.24HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.71DETAILS -
Type:
UnknownAlogP:
2.00Polar Surface Area:
44.12HBA:
4HBD:
---#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS - ALA4475711
Name:
1-Benzyl-4-(cyclopentylamino)-5-methylpyrimidin-2(1H)-oneMol. Formula:
C17H21N3OM.W.:
283.38Type:
UnknownAlogP:
2.95Polar Surface Area:
46.92HBA:
4HBD:
1#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.94DETAILS - ALA4474247
Name:
1-Benzyl-4-((3-(dimethylamino)propyl)amino)-5-methylpyrimidin-2(1H)-oneMol. Formula:
C17H24N4OM.W.:
300.41Type:
UnknownAlogP:
1.96Polar Surface Area:
50.16HBA:
5HBD:
1#RO5 Violations:
---#Rotatable Bonds:
7Passes Ro3:
NQED Weighted:
0.79DETAILS -
Type:
UnknownAlogP:
0.40Polar Surface Area:
159.49HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
13Passes Ro3:
NQED Weighted:
0.27DETAILS -
Type:
UnknownAlogP:
-1.52Polar Surface Area:
188.00HBA:
8HBD:
6#RO5 Violations:
2#Rotatable Bonds:
14Passes Ro3:
NQED Weighted:
0.15DETAILS - ALA4460648
Name:
5-Methyl-1-(4-nitrobenzyl)-4-(n-octylamino)pyrimidin-2(1H)-oneMol. Formula:
C20H28N4O3M.W.:
372.47Type:
UnknownAlogP:
4.28Polar Surface Area:
90.06HBA:
6HBD:
1#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.36DETAILS - ALA4454521
Name:
5-Methyl-4-(n-octylamino)-1-(4-(trifluoromethyl)benzyl)-pyrimidin-2(1H)-oneMol. Formula:
C21H28F3N3OM.W.:
395.47Type:
UnknownAlogP:
5.39Polar Surface Area:
46.92HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.55DETAILS - ALA4453591
Name:
1-Benzyl-4-(n-decylamino)-5-methylpyrimidin-2(1H)-oneMol. Formula:
C22H33N3OM.W.:
355.53Type:
UnknownAlogP:
5.15Polar Surface Area:
46.92HBA:
4HBD:
1#RO5 Violations:
1#Rotatable Bonds:
12Passes Ro3:
NQED Weighted:
0.54DETAILS - ALA4451518
Name:
4-Ethoxy-5-methyl-1-(4-nitrobenzyl)pyrimidin-2(1H)-oneMol. Formula:
C14H15N3O4M.W.:
289.29Type:
UnknownAlogP:
1.91Polar Surface Area:
87.26HBA:
6HBD:
---#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.62DETAILS -
Type:
UnknownAlogP:
-0.93Polar Surface Area:
167.69HBA:
5HBD:
5#RO5 Violations:
---#Rotatable Bonds:
11Passes Ro3:
NQED Weighted:
0.32DETAILS -
Type:
UnknownAlogP:
0.25Polar Surface Area:
130.39HBA:
4HBD:
4#RO5 Violations:
---#Rotatable Bonds:
10Passes Ro3:
NQED Weighted:
0.46DETAILS
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