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Analogs

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Popular Name: 2-chloro-6-methyl-N-(2-morpholinoethyl)pyrimidin-4-amine 2-chloro-6-methyl-N-(2-morpholin…

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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) 1.31 1.92 -7.52 1 5 0 50 256.737 4 ↓
Mid Mid (pH 6-8) 1.31 4.19 -49.07 2 5 1 51 257.745 4 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1S)-1-meth…

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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) 1.64 2.86 -7.69 1 5 0 50 270.764 4 ↓
Mid Mid (pH 6-8) 1.64 5.19 -45.19 2 5 1 51 271.772 4 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(1R)-1-meth…

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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) 1.64 2.85 -7.61 1 5 0 50 270.764 4 ↓
Mid Mid (pH 6-8) 1.64 5.19 -45.14 2 5 1 51 271.772 4 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-(2-morpholinoethyl)pyrimidin-4-amine 6-chloro-2-methyl-N-(2-morpholin…

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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) 0.98 1.89 -6.11 1 5 0 50 256.737 4 ↓
Mid Mid (pH 6-8) 0.98 4.16 -46.18 2 5 1 51 257.745 4 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1S)-1-meth…

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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) 1.31 2.82 -6.09 1 5 0 50 270.764 4 ↓
Mid Mid (pH 6-8) 1.31 5.16 -43.27 2 5 1 51 271.772 4 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(1R)-1-meth…

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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) 1.31 2.82 -5.97 1 5 0 50 270.764 4 ↓
Mid Mid (pH 6-8) 1.31 5.16 -43.26 2 5 1 51 271.772 4 ↓

Analogs

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Popular Name: 2-chloro-5-fluoro-N-(2-morpholinoethyl)pyrimidin-4-amine 2-chloro-5-fluoro-N-(2-morpholin…

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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) 1.18 1.67 -6.14 1 5 0 50 260.7 4 ↓

Analogs

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Popular Name: 2-methyl-N-(2-morpholinoethyl)pyrimidin-4-amine 2-methyl-N-(2-morpholinoethyl)py…

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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) -0.04 1.47 -6.81 1 5 0 50 222.292 4 ↓
Mid Mid (pH 6-8) -0.04 3.75 -45.64 2 5 1 51 223.3 4 ↓
Mid Mid (pH 6-8) -0.04 1.91 -32.56 2 5 1 52 223.3 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 2-methyl-N-[(1S)-1-methyl-2-morp…

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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) 0.29 2.41 -6.75 1 5 0 50 236.319 4 ↓
Mid Mid (pH 6-8) 0.29 4.73 -42.14 2 5 1 51 237.327 4 ↓
Mid Mid (pH 6-8) 0.29 2.86 -31.45 2 5 1 52 237.327 4 ↓

Analogs

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Popular Name: 2-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 2-methyl-N-[(1R)-1-methyl-2-morp…

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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) 0.29 2.4 -6.7 1 5 0 50 236.319 4 ↓
Mid Mid (pH 6-8) 0.29 2.84 -31.58 2 5 1 52 237.327 4 ↓
Mid Mid (pH 6-8) 0.29 4.74 -42.11 2 5 1 51 237.327 4 ↓

Analogs

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Popular Name: 6-isopropoxy-N4-methyl-N4-[(2R)-2-morpholinopropyl]pyrimidine-2,4-diamine 6-isopropoxy-N4-methyl-N4-[(2R)-…

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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) 1.38 3.41 -6.68 2 7 0 77 309.414 6 ↓
Mid Mid (pH 6-8) 1.38 5.66 -41.29 3 7 1 78 310.422 6 ↓
Lo Low (pH 4.5-6) 1.38 6.49 -83.65 4 7 2 79 311.43 6 ↓

Analogs

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Popular Name: 6-isopropoxy-N4-methyl-N4-[(2S)-2-morpholinopropyl]pyrimidine-2,4-diamine 6-isopropoxy-N4-methyl-N4-[(2S)-…

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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) 1.38 3.71 -7.2 2 7 0 77 309.414 6 ↓
Mid Mid (pH 6-8) 1.38 5.93 -40.44 3 7 1 78 310.422 6 ↓
Lo Low (pH 4.5-6) 1.38 6.79 -83.65 4 7 2 79 311.43 6 ↓

Analogs

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Popular Name: 6-hydrazino-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine 6-hydrazino-N-(2-morpholinoethyl…

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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) -0.66 1.43 -7.36 4 10 0 134 283.292 6 ↓
Mid Mid (pH 6-8) -0.66 3.7 -42.75 5 10 1 135 284.3 6 ↓

Analogs

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Popular Name: N4-(2-methoxyethyl)-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine N4-(2-methoxyethyl)-N6-(2-morpho…

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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) -0.06 2.64 -7.98 2 10 0 117 326.357 9 ↓
Mid Mid (pH 6-8) -0.06 4.92 -42.79 3 10 1 119 327.365 9 ↓

Analogs

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Popular Name: 6-ethoxy-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine 6-ethoxy-N-(2-morpholinoethyl)-5…

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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) 0.53 2.13 -8.21 1 9 0 105 297.315 7 ↓
Mid Mid (pH 6-8) 0.53 4.4 -44.85 2 9 1 107 298.323 7 ↓

Analogs

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Popular Name: 6-isopropoxy-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine 6-isopropoxy-N-(2-morpholinoethy…

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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) 0.89 3.04 -8.33 1 9 0 105 311.342 7 ↓
Mid Mid (pH 6-8) 0.89 5.31 -44.79 2 9 1 107 312.35 7 ↓

Analogs

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Popular Name: 6-(N'-tert-butylhydrazino)-N-(2-morpholinoethyl)-5-nitro-pyrimidin-4-amine 6-(N'-tert-butylhydrazino)-N-(2-…

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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) 0.90 4.49 -6.38 3 10 0 120 339.4 8 ↓
Mid Mid (pH 6-8) 0.90 6.76 -41.5 4 10 1 121 340.408 8 ↓

Analogs

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Popular Name: N4-isopentyl-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine N4-isopentyl-N6-(2-morpholinoeth…

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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) 1.61 5.61 -6.11 2 9 0 108 338.412 9 ↓
Mid Mid (pH 6-8) 1.61 7.87 -41.39 3 9 1 109 339.42 9 ↓

Analogs

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Popular Name: N4-[(1S)-2-methoxy-1-methyl-ethyl]-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine N4-[(1S)-2-methoxy-1-methyl-ethy…

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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) 0.27 3.58 -7.47 2 10 0 117 340.384 9 ↓
Mid Mid (pH 6-8) 0.27 5.85 -42.38 3 10 1 119 341.392 9 ↓

Analogs

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Popular Name: N4-[(1R)-2-methoxy-1-methyl-ethyl]-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine N4-[(1R)-2-methoxy-1-methyl-ethy…

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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) 0.27 3.58 -7.44 2 10 0 117 340.384 9 ↓
Mid Mid (pH 6-8) 0.27 5.85 -42.32 3 10 1 119 341.392 9 ↓

Analogs

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Popular Name: N4-[(1R)-1-methylpropyl]-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine N4-[(1R)-1-methylpropyl]-N6-(2-m…

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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) 1.16 5.26 -6.32 2 9 0 108 324.385 8 ↓
Mid Mid (pH 6-8) 1.16 7.52 -41.1 3 9 1 109 325.393 8 ↓

Analogs

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Popular Name: N4-[(1S)-1-methylpropyl]-N6-(2-morpholinoethyl)-5-nitro-pyrimidine-4,6-diamine N4-[(1S)-1-methylpropyl]-N6-(2-m…

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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) 1.16 5.26 -6.3 2 9 0 108 324.385 8 ↓
Mid Mid (pH 6-8) 1.16 7.52 -41.12 3 9 1 109 325.393 8 ↓

Analogs

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Popular Name: 4-methylsulfanyl-6-(2-morpholinoethylamino)pyrimidine-5-carbonitrile 4-methylsulfanyl-6-(2-morpholino…

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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) 0.49 3.23 -6.86 1 6 0 74 279.369 5 ↓
Mid Mid (pH 6-8) 0.49 5.49 -43.42 2 6 1 75 280.377 5 ↓

Analogs

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Popular Name: 6-methyl-N-[(1S)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-methyl-N-[(1S)-1-methyl-2-morp…

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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) 0.64 3.07 -6.67 1 5 0 50 236.319 4 ↓
Mid Mid (pH 6-8) 0.64 3.5 -30.76 2 5 1 52 237.327 4 ↓
Mid Mid (pH 6-8) 0.64 5.4 -42.19 2 5 1 51 237.327 4 ↓

Analogs

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Popular Name: 6-methyl-N-[(1R)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-methyl-N-[(1R)-1-methyl-2-morp…

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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) 0.64 3.05 -6.55 1 5 0 50 236.319 4 ↓
Mid Mid (pH 6-8) 0.64 5.39 -42.18 2 5 1 51 237.327 4 ↓
Mid Mid (pH 6-8) 0.64 3.48 -30.85 2 5 1 52 237.327 4 ↓

Analogs

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Popular Name: 6-ethyl-N-[(1S)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-ethyl-N-[(1S)-1-methyl-2-morph…

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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) 1.21 3.85 -6.37 1 5 0 50 250.346 5 ↓
Mid Mid (pH 6-8) 1.21 6.18 -41.95 2 5 1 51 251.354 5 ↓
Mid Mid (pH 6-8) 1.21 4.23 -30.18 2 5 1 52 251.354 5 ↓

Analogs

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Popular Name: 6-ethyl-N-[(1R)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-ethyl-N-[(1R)-1-methyl-2-morph…

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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) 1.21 3.84 -6.2 1 5 0 50 250.346 5 ↓
Mid Mid (pH 6-8) 1.21 6.18 -41.97 2 5 1 51 251.354 5 ↓
Mid Mid (pH 6-8) 1.21 4.21 -30.22 2 5 1 52 251.354 5 ↓

Analogs

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Popular Name: N-[(1S)-1-methyl-2-morpholino-ethyl]-6-propyl-pyrimidin-4-amine N-[(1S)-1-methyl-2-morpholino-et…

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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) 1.71 4.64 -6.17 1 5 0 50 264.373 6 ↓
Mid Mid (pH 6-8) 1.71 5.01 -30.5 2 5 1 52 265.381 6 ↓
Mid Mid (pH 6-8) 1.71 6.96 -41.91 2 5 1 51 265.381 6 ↓

Analogs

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Popular Name: N-[(1R)-1-methyl-2-morpholino-ethyl]-6-propyl-pyrimidin-4-amine N-[(1R)-1-methyl-2-morpholino-et…

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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) 1.71 4.62 -6.08 1 5 0 50 264.373 6 ↓
Mid Mid (pH 6-8) 1.71 5 -30.6 2 5 1 52 265.381 6 ↓
Mid Mid (pH 6-8) 1.71 6.96 -41.94 2 5 1 51 265.381 6 ↓

Analogs

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Popular Name: 6-isopropyl-N-[(1S)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-isopropyl-N-[(1S)-1-methyl-2-m…

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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) 1.70 4.33 -6.49 1 5 0 50 264.373 5 ↓
Mid Mid (pH 6-8) 1.70 6.63 -42.5 2 5 1 51 265.381 5 ↓
Mid Mid (pH 6-8) 1.70 4.99 -29.09 2 5 1 52 265.381 5 ↓

Analogs

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Popular Name: 6-isopropyl-N-[(1R)-1-methyl-2-morpholino-ethyl]pyrimidin-4-amine 6-isopropyl-N-[(1R)-1-methyl-2-m…

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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) 1.70 4.28 -6.35 1 5 0 50 264.373 5 ↓
Mid Mid (pH 6-8) 1.70 6.62 -42.52 2 5 1 51 265.381 5 ↓
Mid Mid (pH 6-8) 1.70 4.92 -29.16 2 5 1 52 265.381 5 ↓

Analogs

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Popular Name: N-[1-(morpholin-4-yl)propan-2-yl]pyrimidin-4-amine N-[1-(morpholin-4-yl)propan-2-yl…

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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) 0.20 2.48 -6.38 1 5 0 50 222.292 4 ↓
Mid Mid (pH 6-8) 0.20 4.78 -41.9 2 5 1 51 223.3 4 ↓
Lo Low (pH 4.5-6) 0.20 5.27 -91.32 3 5 2 53 224.308 4 ↓

Analogs

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Popular Name: N-[1-(morpholin-4-yl)propan-2-yl]pyrimidin-4-amine N-[1-(morpholin-4-yl)propan-2-yl…

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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) 0.20 2.43 -6.27 1 5 0 50 222.292 4 ↓
Mid Mid (pH 6-8) 0.20 4.77 -41.88 2 5 1 51 223.3 4 ↓
Lo Low (pH 4.5-6) 0.20 5.26 -91.38 3 5 2 53 224.308 4 ↓

Analogs

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Popular Name: 2-chloro-N-methyl-N-(2-morpholinoethyl)pyrimidin-4-amine 2-chloro-N-methyl-N-(2-morpholin…

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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) 1.11 3.38 -8.37 0 5 0 41 256.737 4 ↓
Mid Mid (pH 6-8) 1.11 5.64 -39.9 1 5 1 43 257.745 4 ↓

Analogs

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Popular Name: 6-(2-aminoethyl)-2-methyl-N-(2-morpholinoethyl)pyrimidin-4-amine 6-(2-aminoethyl)-2-methyl-N-(2-m…

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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) -0.60 0.25 -49.05 4 6 1 78 266.369 6 ↓
Mid Mid (pH 6-8) -0.60 2.52 -102.47 5 6 2 79 267.377 6 ↓
Lo Low (pH 4.5-6) -0.60 2.87 -182.95 6 6 3 80 268.385 6 ↓

Parameters Provided:

ring.id = 23348
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 23348 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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