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Popular Name: 2-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-methyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 2.07 6.67 -6.59 1 3 0 38 245.351 2 ↓
Mid Mid (pH 6-8) 2.07 7.11 -32.68 2 3 1 39 246.359 2 ↓

Analogs

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Popular Name: 2-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-methyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 2.07 6.38 -6.18 1 3 0 38 245.351 2 ↓
Mid Mid (pH 6-8) 2.07 6.81 -31.65 2 3 1 39 246.359 2 ↓

Analogs

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Popular Name: 6-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-methyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 2.42 7.32 -6.47 1 3 0 38 245.351 2 ↓
Mid Mid (pH 6-8) 2.42 7.75 -31.9 2 3 1 39 246.359 2 ↓

Analogs

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Popular Name: 6-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-methyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 2.42 7.03 -6.05 1 3 0 38 245.351 2 ↓
Mid Mid (pH 6-8) 2.42 7.46 -31.16 2 3 1 39 246.359 2 ↓

Analogs

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Popular Name: 6-ethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-ethyl-N-[(4R)-4,5,6,7-tetrahyd…

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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) 3.00 8.11 -6.14 1 3 0 38 259.378 3 ↓
Mid Mid (pH 6-8) 3.00 8.49 -31.1 2 3 1 39 260.386 3 ↓

Analogs

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Popular Name: 6-ethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-ethyl-N-[(4S)-4,5,6,7-tetrahyd…

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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) 3.00 7.83 -5.73 1 3 0 38 259.378 3 ↓
Mid Mid (pH 6-8) 3.00 8.19 -30.46 2 3 1 39 260.386 3 ↓

Analogs

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Popular Name: 6-propyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-propyl-N-[(4R)-4,5,6,7-tetrahy…

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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) 3.50 8.89 -5.97 1 3 0 38 273.405 4 ↓
Mid Mid (pH 6-8) 3.50 9.27 -31.47 2 3 1 39 274.413 4 ↓

Analogs

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Popular Name: 6-propyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-propyl-N-[(4S)-4,5,6,7-tetrahy…

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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) 3.50 8.6 -5.55 1 3 0 38 273.405 4 ↓
Mid Mid (pH 6-8) 3.50 8.98 -30.84 2 3 1 39 274.413 4 ↓

Analogs

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Popular Name: 6-isopropyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-isopropyl-N-[(4R)-4,5,6,7-tetr…

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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) 3.48 8.54 -6.14 1 3 0 38 273.405 3 ↓
Mid Mid (pH 6-8) 3.48 9.2 -29.88 2 3 1 39 274.413 3 ↓

Analogs

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Popular Name: 6-isopropyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-isopropyl-N-[(4S)-4,5,6,7-tetr…

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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) 3.48 8.26 -5.71 1 3 0 38 273.405 3 ↓
Mid Mid (pH 6-8) 3.48 8.9 -29.28 2 3 1 39 274.413 3 ↓

Analogs

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Popular Name: N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine N-[(4R)-4,5,6,7-tetrahydrobenzot…

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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) 1.98 6.7 -6.2 1 3 0 38 231.324 2 ↓
Lo Low (pH 4.5-6) 1.98 7.2 -35.37 2 3 1 39 232.332 2 ↓

Analogs

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Popular Name: N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine N-[(4S)-4,5,6,7-tetrahydrobenzot…

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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) 1.98 6.39 -5.8 1 3 0 38 231.324 2 ↓
Lo Low (pH 4.5-6) 1.98 6.89 -34.46 2 3 1 39 232.332 2 ↓

Analogs

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Popular Name: 2-isopropyl-6-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-isopropyl-6-methyl-N-[(4R)-4,5…

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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) 3.57 8.47 -6.65 1 3 0 38 287.432 3 ↓
Mid Mid (pH 6-8) 3.57 8.95 -27.42 2 3 1 39 288.44 3 ↓

Analogs

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Popular Name: 2-isopropyl-6-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-isopropyl-6-methyl-N-[(4S)-4,5…

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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) 3.57 8.17 -6.27 1 3 0 38 287.432 3 ↓
Mid Mid (pH 6-8) 3.57 8.66 -26.46 2 3 1 39 288.44 3 ↓

Analogs

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Popular Name: 2,6-dimethyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2,6-dimethyl-N-[(4R)-4,5,6,7-tet…

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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) 2.51 7.67 -29.18 2 3 1 39 260.386 2 ↓
Mid Mid (pH 6-8) 2.51 7.27 -6.93 1 3 0 38 259.378 2 ↓

Analogs

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Popular Name: 2,6-dimethyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2,6-dimethyl-N-[(4S)-4,5,6,7-tet…

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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) 2.51 7.38 -28.26 2 3 1 39 260.386 2 ↓
Mid Mid (pH 6-8) 2.51 6.98 -6.52 1 3 0 38 259.378 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-chloro-N-[(4R)-4,5,6,7-tetrahy…

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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) 2.98 6.49 -7.16 1 3 0 38 265.769 2 ↓

Analogs

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Popular Name: 2-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-chloro-N-[(4S)-4,5,6,7-tetrahy…

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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) 2.98 6.19 -6.51 1 3 0 38 265.769 2 ↓

Analogs

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Popular Name: 6-chloro-5-nitro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-chloro-5-nitro-N-[(4R)-4,5,6,7…

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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) 2.89 8.92 -6.41 1 6 0 84 310.766 3 ↓

Analogs

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Popular Name: 6-chloro-5-nitro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-chloro-5-nitro-N-[(4S)-4,5,6,7…

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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) 2.89 8.46 -6.27 1 6 0 84 310.766 3 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(4R)-4,5,6,…

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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) 3.42 7.12 -7.21 1 3 0 38 279.796 2 ↓

Analogs

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Popular Name: 2-chloro-6-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 2-chloro-6-methyl-N-[(4S)-4,5,6,…

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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) 3.42 6.83 -6.64 1 3 0 38 279.796 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(4R)-4,5,6,…

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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) 3.09 7.08 -5.89 1 3 0 38 279.796 2 ↓

Analogs

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Popular Name: 6-chloro-2-methyl-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-chloro-2-methyl-N-[(4S)-4,5,6,…

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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) 3.09 6.78 -5.65 1 3 0 38 279.796 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-chloro-N-[(4R)-4,5,6,7-tetrahy…

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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) 3.00 7.09 -5.54 1 3 0 38 265.769 2 ↓

Analogs

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Popular Name: 6-chloro-N-[(4S)-4,5,6,7-tetrahydrobenzothiophen-4-yl]pyrimidin-4-amine 6-chloro-N-[(4S)-4,5,6,7-tetrahy…

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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) 3.00 6.84 -5.42 1 3 0 38 265.769 2 ↓

Parameters Provided:

ring.id = 211989
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 211989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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