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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(4-bromo-2-fluoro-phenyl)-6-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.06 14.3 -7.77 1 8 0 90 491.296 5 ↓

Analogs

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Popular Name: N-(4-bromo-2-fluoro-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(4-bromo-2-fluoro-phenyl)-6-[4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.11 13.86 -8.73 1 8 0 90 491.296 5 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(3-bromophenyl)-6-[4-(2-fluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 14.11 -7.81 1 8 0 90 473.306 5 ↓

Analogs

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Popular Name: N-(3-bromophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(3-bromophenyl)-6-[4-(4-fluoro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.00 13.71 -8.13 1 8 0 90 473.306 5 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amin N-[4-chloro-3-(trifluoromethyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.67 14.89 -8.33 1 8 0 90 496.852 6 ↓

Analogs

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Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amin N-[4-chloro-3-(trifluoromethyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.71 14.53 -9.16 1 8 0 90 496.852 6 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(3-chloro-4-fluoro-phenyl)-6-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.93 14.05 -8.38 1 8 0 90 446.845 5 ↓

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(3-chloro-4-fluoro-phenyl)-6-[…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.98 13.68 -8.67 1 8 0 90 446.845 5 ↓

Analogs

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Popular Name: N-[4-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide N-[4-[[6-[4-(2-fluorophenyl)pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.38 12.45 -14.96 2 10 0 119 451.462 6 ↓

Analogs

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Popular Name: N-[4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide N-[4-[[6-[4-(4-fluorophenyl)pipe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.43 12 -14.61 2 10 0 119 451.462 6 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(5-chloro-2,4-dimethoxy-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.81 12.84 -10.97 1 10 0 109 488.907 7 ↓

Analogs

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Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(5-chloro-2,4-dimethoxy-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.86 12.4 -10.67 1 10 0 109 488.907 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.69 15.13 -11.5 1 10 0 116 466.473 8 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.73 14.69 -11.38 1 10 0 116 466.473 8 ↓

Analogs

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Popular Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine 6-[4-(2-fluorophenyl)piperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.13 13.27 -7.78 1 9 0 99 478.406 7 ↓

Analogs

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Popular Name: 6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-[4-(2-fluorophenyl)piperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.06 14.49 -7.94 1 8 0 90 462.407 6 ↓

Analogs

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Popular Name: N-(2,5-difluorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(2,5-difluorophenyl)-6-[4-(2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 13.75 -8.17 1 8 0 90 430.39 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(2,4-difluorophenyl)-6-[4-(2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 13.75 -8.13 1 8 0 90 430.39 5 ↓

Analogs

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Popular Name: N-(3,4-difluorophenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(3,4-difluorophenyl)-6-[4-(2-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 13.6 -9.08 1 8 0 90 430.39 5 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.27 14.93 -12.73 0 10 0 108 466.473 7 ↓
Lo Low (pH 4.5-6) 4.27 15.79 -30.07 1 10 1 109 467.481 7 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(2-ethoxyphenyl)-6-[4-(2-fluor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.55 13.92 -10.59 1 9 0 99 438.463 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.84 15.3 -14.29 1 10 0 116 466.473 8 ↓

Analogs

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Popular Name: 4-[[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoic 4-[[6-[4-(2-fluorophenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.07 14.02 -50.11 1 10 -1 130 437.411 6 ↓

Analogs

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Popular Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine 6-[4-(4-fluorophenyl)piperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.18 12.87 -8.14 1 9 0 99 478.406 7 ↓

Analogs

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Popular Name: 6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine 6-[4-(4-fluorophenyl)piperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.11 14.09 -8.48 1 8 0 90 462.407 6 ↓

Analogs

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Popular Name: N-(2,5-difluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(2,5-difluorophenyl)-6-[4-(4-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 13.29 -8.84 1 8 0 90 430.39 5 ↓

Analogs

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Popular Name: N-(2,4-difluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(2,4-difluorophenyl)-6-[4-(4-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 13.3 -9.05 1 8 0 90 430.39 5 ↓

Analogs

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Popular Name: N-(3,4-difluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(3,4-difluorophenyl)-6-[4-(4-f…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.47 13.23 -9.42 1 8 0 90 430.39 5 ↓

Analogs

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Popular Name: methyl methyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.32 14.49 -12.34 0 10 0 108 466.473 7 ↓

Analogs

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Popular Name: N-(2-ethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-amine N-(2-ethoxyphenyl)-6-[4-(4-fluor…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.60 13.47 -10.16 1 9 0 99 438.463 7 ↓

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.89 14.86 -13.49 1 10 0 116 466.473 8 ↓

Analogs

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Popular Name: 4-[[6-[4-(4-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]benzoic 4-[[6-[4-(4-fluorophenyl)piperaz…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.12 13.58 -49.93 1 10 -1 130 437.411 6 ↓

Analogs

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Popular Name: N4-ethyl-N4-(m-tolyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine N4-ethyl-N4-(m-tolyl)-6-(4-pheny…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.18 12.81 -30.37 3 6 1 63 389.527 5 ↓

Analogs

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Popular Name: N4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-N4-(m-tolyl)pyrimidine-4,5-diamine N4-ethyl-6-[4-(4-methoxyphenyl)p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.24 12.09 -32.32 3 7 1 72 419.553 6 ↓

Analogs

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Popular Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-N4-ethyl-N4-(m-tolyl)pyrimidine-4,5-diamine 6-[4-(3-chlorophenyl)piperazin-1…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.83 13.32 -31.3 3 6 1 63 423.972 5 ↓
Hi High (pH 8-9.5) 4.83 12.86 -7.28 2 6 0 62 422.964 5 ↓
Mid Mid (pH 6-8) 4.83 13.34 -34.63 3 6 1 63 423.972 5 ↓

Analogs

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Popular Name: N4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]-N4-(m-tolyl)pyrimidine-4,5-diamine N4-ethyl-6-[4-(2-fluorophenyl)pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.30 13.31 -28.16 3 6 1 63 407.517 5 ↓
Hi High (pH 8-9.5) 4.30 12.86 -6.95 2 6 0 62 406.509 5 ↓
Mid Mid (pH 6-8) 4.30 13.33 -30.72 3 6 1 63 407.517 5 ↓

Analogs

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Popular Name: N4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-N4-(m-tolyl)pyrimidine-4,5-diamine N4-ethyl-6-[4-(4-fluorophenyl)pi…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.34 12.88 -32.83 3 6 1 63 407.517 5 ↓
Hi High (pH 8-9.5) 4.34 12.42 -8.07 2 6 0 62 406.509 5 ↓

Parameters Provided:

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filter.purchasability = annotated
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page.num = 1

Structural Results Found: (before additional filtering)

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