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  1. ALA347380

    Name:
    2-Amino-6-benzylamino-3H-pyrimidin-4-one

    Mol. Formula:
    C11H12N4O

    M.W.:
    216.24

    Type:
    Small molecule

    AlogP:
    1.38

    Polar Surface Area:
    84.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  2. ALA349592

    Name:
    2-Amino-6-(indan-5-ylamino)-3H-pyrimidin-4-one

    Mol. Formula:
    C13H14N4O

    M.W.:
    242.28

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    84.06

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  3. ALA158113

    Name:
    N*4*-Benzyl-6-chloro-pyrimidine-2,4-diamine

    Mol. Formula:
    C11H11ClN4

    M.W.:
    234.69

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    63.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  4. ALA162192

    Name:
    5-Methyl-6-p-tolylamino-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C12H13N3O2

    M.W.:
    231.25

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  5. ALA162191

    Name:
    5-Ethyl-6-p-tolylamino-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C13H15N3O2

    M.W.:
    245.28

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  6. ALA349354

    Name:
    6-p-Tolylamino-1H-[1,3,5]triazine-2,4-dione

    Mol. Formula:
    C10H10N4O2

    M.W.:
    218.22

    Type:
    Small molecule

    AlogP:
    0.51

    Polar Surface Area:
    90.64

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  7. ALA353575

    Name:
    5-Bromo-6-p-tolylamino-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C11H10BrN3O2

    M.W.:
    296.12

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  8. ALA347010

    Name:
    N*4*-Benzyl-6-(4-chloro-benzylsulfanyl)-pyrimidine-2,4-diamine

    Mol. Formula:
    C18H17ClN4S

    M.W.:
    356.88

    Type:
    Small molecule

    AlogP:
    4.62

    Polar Surface Area:
    63.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA348958

    Name:
    6-Benzylamino-1H-[1,3,5]triazine-2,4-dione

    Mol. Formula:
    C10H10N4O2

    M.W.:
    218.22

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    90.64

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA161517

    Name:
    6-Benzylamino-5-bromo-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C11H10BrN3O2

    M.W.:
    296.12

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  11. ALA161515

    Name:
    6-Benzylamino-5-iodo-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C11H10IN3O2

    M.W.:
    343.12

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA157927

    Name:
    5-Nitroso-6-p-tolylamino-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C11H10N4O3

    M.W.:
    246.23

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    107.70

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  13. ALA158985

    Name:
    N*4*-Benzyl-6-benzylsulfanyl-pyrimidine-2,4-diamine

    Mol. Formula:
    C18H18N4S

    M.W.:
    322.44

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    63.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA158681

    Name:
    6-Benzylamino-5-nitroso-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C11H10N4O3

    M.W.:
    246.23

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    107.70

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  15. ALA419606

    Name:
    6-Phenylamino-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C10H9N3O2

    M.W.:
    203.20

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  16. ALA331962

    Name:
    6-(3,5-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C12H13N3O2

    M.W.:
    231.25

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  17. ALA124740

    Name:
    6-(5-Hydroxy-pentylamino)-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C9H15N3O3

    M.W.:
    213.24

    Type:
    Small molecule

    AlogP:
    0.46

    Polar Surface Area:
    98.50

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA123638

    Name:
    6-(Naphthalen-1-ylamino)-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C14H11N3O2

    M.W.:
    253.26

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA125067

    Name:
    6-(2,3-Dimethyl-phenylamino)-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C12H13N3O2

    M.W.:
    231.25

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  20. ALA123619

    Name:
    6-Butylamino-1H-pyrimidine-2,4-dione

    Mol. Formula:
    C8H13N3O2

    M.W.:
    183.21

    Type:
    Small molecule

    AlogP:
    1.10

    Polar Surface Area:
    78.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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